Geometry & MOs

Info

ID:	350019
PubChem CID:	127276892
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	3.43
IP(EA), eV:	-8.9(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(C2=CC=CC=C2C1)C

DOS

IR

Vibrations