Geometry & MOs

Info

ID:	236290
PubChem CID:	92712253
Reduced:	OSN3C25H25 (1)
Stoich.:	ABC3D25E25 (1)
Weight, g/mol:	415.171834
ΔH_f, kcal/mol:	32.71
Dipole, Da:	4.43
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(6-methylthieno[2,3-b]quinolin-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(S3)N=C5C=CC(=CC5=C4)C

DOS

IR

Vibrations