Geometry & MOs

Info

ID:	342219
PubChem CID:	127264996
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	360.128549
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	7.68
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(difluoromethoxy)benzoyl]-7-phenyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C3CCCCN3C(=O)C4=CC(=CC=C4)OCC(=O)N

DOS

IR

Vibrations