Geometry & MOs

Info

ID:	354499
PubChem CID:	127287048
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	1.98
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NC3CCCOC4=CC=CC=C34

DOS

IR

Vibrations