Geometry & MOs

Info

ID:	52686
PubChem CID:	12015688
Reduced:	N2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	190.146999
ΔH_f, kcal/mol:	22.36
Dipole, Da:	0.54
IP(EA), eV:	-9.08(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-1,2,3,5-tetrahydro-1,4-benzodiazepine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CN1)N

DOS

IR

Vibrations