Geometry & MOs

Info

ID:	186326
PubChem CID:	77421226
Reduced:	O6C27H32 (1)
Stoich.:	A6B27C32 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-265.09
Dipole, Da:	5.42
IP(EA), eV:	-9.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1(OC(=O)C(C(=O)O1)CC(CC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)OC(C)(C)C)C

DOS

IR

Vibrations