Geometry & MOs

Info

ID:	382082
PubChem CID:	134973005
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	5.06
IP(EA), eV:	-8.8(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(4-methoxybenzoyl)-4-(2-methoxypropan-2-yl)-1-propylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCN(CC=C(C)C)C(=O)/C=C/C1=CC=C(C=C1)OC

DOS

IR

Vibrations