Geometry & MOs

Info

ID:	129047
PubChem CID:	51068045
Reduced:	ClN3O4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	523.198632
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	1.9
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4

DOS

IR

Vibrations