Geometry & MOs

Info

ID:	83725
PubChem CID:	49860685
Reduced:	ClN2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	314.154976
ΔH_f, kcal/mol:	15.34
Dipole, Da:	2.26
IP(EA), eV:	-8.93(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-phenyl-3-propyl-1,5-dihydro-2,4-benzodiazepine;hydrochloride

Drug info:

PubChemData

Smile

CCCCCC1=NC(C2=CC=CC=C2CN1C)C3=CC=CC=C3.Cl

DOS

IR

Vibrations