Geometry & MOs

Info

ID:	350011
PubChem CID:	127276884
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-2.7
Dipole, Da:	7.0
IP(EA), eV:	-9.02(-0.98)
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)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCCC4C5=CC=CC=C5OC

DOS

IR

Vibrations