Geometry & MOs

Info

ID:	222220
PubChem CID:	85295322
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	7.58
IP(EA), eV:	-9.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylmethoxyethylidene)hexan-1-ol

Drug info:

PubChemData

Smile

CC(C)OC1=CC2C(=NC=NC2=O)C=C1OC

DOS

IR

Vibrations