Geometry & MOs

Info

ID:	71024
PubChem CID:	48414193
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	42.68
Dipole, Da:	5.99
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexanecarbonyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=C2C(=NN3C(C)(C)C)C)C4CC4

DOS

IR

Vibrations