Geometry & MOs

Info

ID:	437682
PubChem CID:	135226847
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	272.144616
ΔH_f, kcal/mol:	-30.27
Dipole, Da:	2.96
IP(EA), eV:	-7.98(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-4-methoxy-2-methylsulfanylcyclohexyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)C)C3=CN(C(=O)C4=C3C=C(N4)C)C

DOS

IR

Vibrations