Geometry & MOs

Info

ID:	152483
PubChem CID:	56311420
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	3.09
IP(EA), eV:	-8.73(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations