Geometry & MOs

Info

ID:	281412
PubChem CID:	103913830
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-118.48
Dipole, Da:	4.7
IP(EA), eV:	-8.75(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC2CCCS(=O)(=O)C2

DOS

IR

Vibrations