Geometry & MOs

Info

ID:	401501
PubChem CID:	135051459
Reduced:	LiNH12C14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	378.165121
ΔH_f, kcal/mol:	68.69
Dipole, Da:	7.29
IP(EA), eV:	-7.37(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6S)-6-benzoyl-5-trimethylsilyloxycyclohex-3-en-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

[Li+].CCN1C2=C(C=[C-]C=C2)C3=CC=CC=C31

DOS

IR

Vibrations