Geometry & MOs

Info

ID:	354075
PubChem CID:	127285874
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-12.9
Dipole, Da:	1.17
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=CC(=NN2)NC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations