Geometry & MOs

Info

ID:	132281
PubChem CID:	51336078
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	2.45
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methylsulfanylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC(C3=CC=CO3)N4CCCCC4

DOS

IR

Vibrations