Geometry & MOs

Info

ID:	389287
PubChem CID:	134992018
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	1.19
IP(EA), eV:	-9.63(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-1-formyl-6-methylcyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CC=C[C@H]([C@]1(C)C=O)CCC(=O)C

DOS

IR

Vibrations