Geometry & MOs

Info

ID:	68983
PubChem CID:	46514705
Reduced:	BrN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	442.16166
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	7.25
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=O)CNC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations