Geometry & MOs

Info

ID:	57943
PubChem CID:	24398001
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	458.102431
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	3.49
IP(EA), eV:	-8.48(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)CCOC2=CC=CC=C2OC

DOS

IR

Vibrations