Geometry & MOs

Info

ID:	157698
PubChem CID:	56436625
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	418.109962
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	2.11
IP(EA), eV:	-8.66(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxybenzoyl)amino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC=C(C=C2)NC(=O)CNC(=O)CCC(C)C

DOS

IR

Vibrations