Geometry & MOs

Info

ID:	69250
PubChem CID:	46530524
Reduced:	N4O5H22C25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	471.190654
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	5.63
IP(EA), eV:	-8.1(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations