Geometry & MOs

Info

ID:	194013
PubChem CID:	78468420
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	3.22
Dipole, Da:	3.08
IP(EA), eV:	-9.19(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)NC(C)CCC3=CC=CC=C3

DOS

IR

Vibrations