Geometry & MOs

Info

ID:	347224
PubChem CID:	127271765
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	332.257612
ΔH_f, kcal/mol:	19.47
Dipole, Da:	6.31
IP(EA), eV:	-8.38(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations