Geometry & MOs

Info

ID:	169605
PubChem CID:	75125571
Reduced:	ClON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	351.231063
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	5.42
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1-(2-methylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations