Geometry & MOs

Info

ID:	28886
PubChem CID:	830289
Reduced:	ClNO2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	341.123878
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	3.46
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-4,7,7-trimethyl-3-oxo-N-[2-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@]23CC[C@](C2(C)C)(C(=O)C3)C)Cl

DOS

IR

Vibrations