Geometry & MOs

Info

ID:	28194
PubChem CID:	826159
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-46.4
Dipole, Da:	5.99
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trimethoxy-5-[(1R,2S)-2-methylcyclohexyl]benzene

Drug info:

PubChemData

Smile

CC[C@]1(CCC(=O)O1)C2=CSC(=N2)NC3=CC=CC=C3C

DOS

IR

Vibrations