Geometry & MOs

Info

ID:	347693
PubChem CID:	127272573
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	3.9
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations