Geometry & MOs

Info

ID:	394786
PubChem CID:	135023810
Reduced:	ClO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	2.27
IP(EA), eV:	-9.39(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,7S,9R)-7-cyano-4-hydroxy-10,10-dimethyl-8-oxotricyclo[7.1.1.02,7]undec-3-ene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=C)/C=C(\C1=CC=CC=C1)/O)C(=O)CCl

DOS

IR

Vibrations