Geometry & MOs

Info

ID:	368292
PubChem CID:	127327876
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-36.31
Dipole, Da:	3.66
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC(=O)N2CCC(CC2)N(C)C3=NN=C(C=C3)C

DOS

IR

Vibrations