Geometry & MOs

Info

ID:	121747
PubChem CID:	50780045
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	3.64
IP(EA), eV:	-8.42(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-6,7-dimethylquinoxalin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=O)N(C=N2)CCC(=O)NC)C3=CC=CC=C3)C

DOS

IR

Vibrations