Geometry & MOs

Info

ID:	16124
PubChem CID:	460027
Reduced:	ClN4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	272.082874
ΔH_f, kcal/mol:	78.29
Dipole, Da:	3.73
IP(EA), eV:	-8.6(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-methyl-5-(1H-pyrrol-3-yl)-3H-1,4-benzodiazepin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CNC=C3

DOS

IR

Vibrations