Geometry & MOs

Info

ID:	139134
PubChem CID:	52479101
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	447.149344
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	8.9
IP(EA), eV:	-9.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-4-hydroxy-1-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCO)C2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations