Geometry & MOs

Info

ID:	307812
PubChem CID:	125309517
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-52.28
Dipole, Da:	5.57
IP(EA), eV:	-9.25(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenoxy-N-[1-(5-thiophen-2-yl-4H-pyrazol-3-yl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)[C@H](C(=C2C=C1)C3=CC=CC=C3)CC(=O)OC

DOS

IR

Vibrations