Geometry & MOs

Info

ID:	165844
PubChem CID:	74604177
Reduced:	ClNO7C23H25 (1)
Stoich.:	ABC7D23E25 (1)
Weight, g/mol:	460.163436
ΔH_f, kcal/mol:	-231.73
Dipole, Da:	5.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892768
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)COC(=O)C=CC3=CC(=C(C(=C3)Cl)OC)OC

DOS

IR

Vibrations