Geometry & MOs

Info

ID:	159101
PubChem CID:	57260156
Reduced:	NOC34H37 (1)
Stoich.:	ABC34D37 (1)
Weight, g/mol:	495.111647
ΔH_f, kcal/mol:	31.76
Dipole, Da:	1.91
IP(EA), eV:	-8.92(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxybutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCC(C2(CCNCC2)C3=CC=CC=C3)O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations