Geometry & MOs

Info

ID:	129051
PubChem CID:	51068122
Reduced:	Cl2O3N5C29H31 (1)
Stoich.:	A2B3C5D29E31 (1)
Weight, g/mol:	502.22162
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	4.98
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-1-[2-[5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methylurea

Drug info:

PubChemData

Smile

CN1C=CC=C1C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)CN(CCN4CCOCC4)C(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations