Geometry & MOs

Info

ID:	12572
PubChem CID:	140558
Reduced:	N2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	25.77
Dipole, Da:	2.08
IP(EA), eV:	-8.58(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepine

Drug info:

PubChemData

Smile

CN1CCCN(C2=CC=CC=C21)C

DOS

IR

Vibrations