Geometry & MOs

Info

ID:	129042
PubChem CID:	51067925
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	453.206385
ΔH_f, kcal/mol:	-116.34
Dipole, Da:	7.02
IP(EA), eV:	-8.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N(C)CC(=O)N1C(CC(=N1)C2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3

DOS

IR

Vibrations