Geometry & MOs

Info

ID:	20039
PubChem CID:	577304
Reduced:	N2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	250.146999
ΔH_f, kcal/mol:	50.39
Dipole, Da:	3.33
IP(EA), eV:	-8.15(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-1,5-benzodiazepine

Drug info:

PubChemData

Smile

CC1CC(=NC2=CC=CC=C2N1)C3=CC=C(C=C3)C

DOS

IR

Vibrations