Geometry & MOs

Info

ID:	342583
PubChem CID:	127265743
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	95.53
Dipole, Da:	1.72
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-ethoxy-4-[(2E)-2-(1H-pyrazin-2-ylidene)propylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)OC2=NC=CN=C2)C3=NC=CN=C3

DOS

IR

Vibrations