Geometry & MOs

Info

ID:	426016
PubChem CID:	135134892
Reduced:	ClN5H14C17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	352.120322
ΔH_f, kcal/mol:	124.23
Dipole, Da:	2.37
IP(EA), eV:	-8.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(1-aminoethylidene)-5-(3-chloropyridin-4-yl)-7-cyclopropylpyrido[3,2-e][1,4]diazepin-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)N=C3C(=C(NN3)C)N=C2C4=CC=CC=C4Cl

DOS

IR

Vibrations