Geometry & MOs

Info

ID:	74088
PubChem CID:	48421445
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	5.29
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=C(N=CC=C3)OC)C

DOS

IR

Vibrations