Geometry & MOs

Info

ID:	65799
PubChem CID:	46386883
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	-139.28
Dipole, Da:	5.67
IP(EA), eV:	-8.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-diethoxyphenyl)methyl]-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O

DOS

IR

Vibrations