Geometry & MOs

Info

ID:	1112
PubChem CID:	3802
Reduced:	N5C18H21 (1)
Stoich.:	A5B18C21 (1)
Weight, g/mol:	307.179696
ΔH_f, kcal/mol:	78.35
Dipole, Da:	1.86
IP(EA), eV:	-8.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C(C=CC=N3)N=C2N4CCN(CC4)C

DOS

IR

Vibrations