Geometry & MOs

Info

ID:	350023
PubChem CID:	127276896
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	1.31
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCN(C4=CC=CC=C4C3)C

DOS

IR

Vibrations