Geometry & MOs

Info

ID:	141843
PubChem CID:	52937140
Reduced:	C25H36 (1)
Stoich.:	A25B36 (1)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	0.67
IP(EA), eV:	-9.05(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenyl-1H-pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC1=C([C@@]2(CCC[C@@H]2C1)C(=C)CCC)C3=CC=CC=C3

DOS

IR

Vibrations