Geometry & MOs

Info

ID:

224115

PubChem CID:

85338354

Reduced:

O4N5C38H43 (1)

Stoich.:

A4B5C38D43 (1)

Weight, g/mol:

633.273627

ΔHf, kcal/mol:

-116.38

Dipole, Da:

2.91

IP(EA), eV:

 -8.83(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 4-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-(2-methylpropoxy)benzoate;dihydrochloride

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CCC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations