Geometry & MOs

Info

ID:	368245
PubChem CID:	127327797
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	6.02
IP(EA), eV:	-9.0(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-N-(1-propylpiperidin-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)N3CCC(C3)C4=CN(N=C4)C

DOS

IR

Vibrations