Geometry & MOs

Info

ID:

227949

PubChem CID:

87563110

Reduced:

NO6C10H15 (1)

Stoich.:

AB6C10D15 (1)

Weight, g/mol:

1082.614603

ΔHf, kcal/mol:

-249.69

Dipole, Da:

7.68

IP(EA), eV:

 -10.62(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3R,5R)-3-(4-aminobutyl)-1-(naphthalen-1-ylmethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-4-phenylbenzamide;N-[[(3R,5R)-3-(4-aminobutyl)-1-(naphthalen-1-ylmethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)N.CC(=CC(=C)C(=O)O)C(=O)O

DOS

IR

Vibrations