Geometry & MOs

Info

ID:	380696
PubChem CID:	134971223
Reduced:	ON2C31H34 (1)
Stoich.:	AB2C31D34 (1)
Weight, g/mol:	354.063442
ΔH_f, kcal/mol:	32.53
Dipole, Da:	3.19
IP(EA), eV:	-7.16(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[(2-chlorophenyl)methyl]-5-phenyl-5-(trifluoromethyl)oxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=CN(C2=C(/C(=C/C3=CC=CC=C3)/C)O)C4=C(C=C(C=C4C)C)C)C

DOS

IR

Vibrations