Geometry & MOs

Info

ID:	129036
PubChem CID:	51067540
Reduced:	ClFN4O4C28H28 (1)
Stoich.:	ABC4D4E28F28 (1)
Weight, g/mol:	561.2475
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	8.03
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

C1COCCN1CCN(CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)F)C4=CC=CO4)C(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations