Geometry & MOs

Info

ID:	245506
PubChem CID:	99453616
Reduced:	Cl2O2N4C25H26 (1)
Stoich.:	A2B2C4D25E26 (1)
Weight, g/mol:	484.143282
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	4.88
IP(EA), eV:	-8.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3,4-dichlorobenzoyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)[C@@H]3CCCN(C3)C(=O)C4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations