Geometry & MOs

Info

ID:	330494
PubChem CID:	127247901
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	325.160183
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	3.66
IP(EA), eV:	-8.93(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-difluorophenyl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations