Geometry & MOs

Info

ID:	145597
PubChem CID:	53553250
Reduced:	SN3O3H13C17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	8.95
IP(EA), eV:	-8.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=NC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)N

DOS

IR

Vibrations