Geometry & MOs

Info

ID:	271914
PubChem CID:	103699539
Reduced:	SO2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	-105.75
Dipole, Da:	3.55
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNCC(C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations