Geometry & MOs

Info

ID:	244219
PubChem CID:	99319459
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	1.73
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)C

DOS

IR

Vibrations