Geometry & MOs

Info

ID:	294608
PubChem CID:	117473521
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	4.05
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2(CCCC2)N=C=O)SC)OC

DOS

IR

Vibrations