Geometry & MOs

Info

ID:	129052
PubChem CID:	51068178
Reduced:	N4O5C28H30 (1)
Stoich.:	A4B5C28D30 (1)
Weight, g/mol:	500.219033
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	4.36
IP(EA), eV:	-8.52(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-[2-[3-(2-chlorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

CN(CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations