Geometry & MOs

Info

ID:	264293
PubChem CID:	103450844
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-100.71
Dipole, Da:	2.57
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxyphenyl)-(1-hydroxy-4-methylcyclohexyl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)CC2=NC(=CS2)C(C)(C)C)O

DOS

IR

Vibrations