Geometry & MOs

Info

ID:

414768

PubChem CID:

135087730

Reduced:

N6O7C35H46 (1)

Stoich.:

A6B7C35D46 (1)

Weight, g/mol:

368.184841

ΔHf, kcal/mol:

-284.86

Dipole, Da:

6.3

IP(EA), eV:

 -9.15(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1S,5S)-7-[(4-methylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)CN4CCOC4=O

DOS

IR

Vibrations