Geometry & MOs

Info

ID:	155954
PubChem CID:	56368476
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	429.05494
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	1.92
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodo-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(=O)N)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations