Geometry & MOs

Info

ID:	64575
PubChem CID:	29203036
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	5.54
IP(EA), eV:	-9.22(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCCN3CCCC3=O)C

DOS

IR

Vibrations