Geometry & MOs

Info

ID:	327522
PubChem CID:	126690219
Reduced:	SN4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	367.273596
ΔH_f, kcal/mol:	85.42
Dipole, Da:	5.35
IP(EA), eV:	-8.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-[4-(4-ethylpiperazin-1-yl)anilino]-(3-methylcyclohept-3-en-1-ylidene)methyl]methanimidamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CSC3=C2NC=NC3N)N

DOS

IR

Vibrations