Geometry & MOs

Info

ID:	350018
PubChem CID:	127276891
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-78.83
Dipole, Da:	6.7
IP(EA), eV:	-8.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCO4

DOS

IR

Vibrations