Geometry & MOs

Info

ID:	324082
PubChem CID:	126676893
Reduced:	BrNSC9H12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	327.180758
ΔH_f, kcal/mol:	20.11
Dipole, Da:	2.04
IP(EA), eV:	-9.19(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[(2-methoxyphenyl)iminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)C(=C)CBr)C

DOS

IR

Vibrations