Geometry & MOs

Info

ID:	175891
PubChem CID:	75966230
Reduced:	C2H3 (14)
Stoich.:	A2B3 (14)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-28.86
Dipole, Da:	0.77
IP(EA), eV:	-8.84(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-phenylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC1=C(C2(CCCC2C1)C(=C)C3=CC=CC=C3)CCCCCC

DOS

IR

Vibrations