Geometry & MOs

Info

ID:	244044
PubChem CID:	99309506
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	494.208469
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	3.92
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCN(CC1)C(=O)CC2=CC(=CC=C2)OC)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations