Geometry & MOs

Info

ID:	379535
PubChem CID:	134441703
Reduced:	NCl3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	43.69
Dipole, Da:	4.18
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3-(quinoxaline-2-carbonyl)pyrazin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C2C(C2(C)Cl)C(=C)NC3=CC(=C(C=C3)Cl)C=C

DOS

IR

Vibrations