Geometry & MOs

Info

ID:	355748
PubChem CID:	127290600
Reduced:	OCl2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-11.86
Dipole, Da:	3.18
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(C)C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations