Geometry & MOs

Info

ID:	175646
PubChem CID:	75930627
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	-35.02
Dipole, Da:	4.19
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropanecarbonyl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Cl)N=C1NC(=O)C3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations