Geometry & MOs

Info

ID:	368359
PubChem CID:	127328081
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-29.17
Dipole, Da:	4.45
IP(EA), eV:	-8.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)NC3CCCCCC3

DOS

IR

Vibrations