Geometry & MOs

Info

ID:	339277
PubChem CID:	127260656
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	2.54
IP(EA), eV:	-9.41(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-2-butyl-6-(hydroxymethylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](C(=O)C1)C/C(=N/O)/C2=CC=CC=C2

DOS

IR

Vibrations