Geometry & MOs

Info

ID:	74085
PubChem CID:	48421442
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	31.37
Dipole, Da:	9.63
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-3-(2,5-dimethylpyrrolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4)C

DOS

IR

Vibrations