Geometry & MOs

Info

ID:	171460
PubChem CID:	75379520
Reduced:	N3F4O4C12H13 (1)
Stoich.:	A3B4C4D12E13 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-273.28
Dipole, Da:	4.45
IP(EA), eV:	-9.41(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC(F)(F)F)C(=O)CNC1=CC(=C(C=C1[N+](=O)[O-])F)OC

DOS

IR

Vibrations