Geometry & MOs

Info

ID:	186328
PubChem CID:	77421228
Reduced:	O3C14H17 (2)
Stoich.:	A3B14C17 (2)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-267.81
Dipole, Da:	2.58
IP(EA), eV:	-9.02(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations