Geometry & MOs

Info

ID:	228534
PubChem CID:	87565240
Reduced:	O2S2N6H18C19 (1)
Stoich.:	A2B2C6D18E19 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	54.93
Dipole, Da:	8.01
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-1-pentylcyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)SC3=NN=C4N3N=C(C=C4)OC5CCCC5

DOS

IR

Vibrations