Geometry & MOs

Info

ID:	169606
PubChem CID:	75125572
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	323.128821
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	6.57
IP(EA), eV:	-8.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4,5-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C=CC2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

DOS

IR

Vibrations