Geometry & MOs

Info

ID:	65784
PubChem CID:	46386868
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	399.139448
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	5.07
IP(EA), eV:	-7.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations