Geometry & MOs

Info

ID:	427683
PubChem CID:	135161228
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	376.214223
ΔH_f, kcal/mol:	34.17
Dipole, Da:	1.08
IP(EA), eV:	-8.07(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-2-[(E)-2-amino-1-chloro-2-phenylethenyl]-N'-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enimidamide

Drug info:

PubChemData

Smile

CCC(=C)/C=C(/CC)\C(=C/C(=C/N)/C)\C=C

DOS

IR

Vibrations