Geometry & MOs

Info

ID:	349154
PubChem CID:	127274880
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-59.91
Dipole, Da:	7.59
IP(EA), eV:	-8.51(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCC(=O)NC3

DOS

IR

Vibrations