Geometry & MOs

Info

ID:	198670
PubChem CID:	79134500
Reduced:	OSN2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	3.99
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(C)NC(=O)CSC1=CC=CC(=C1)N

DOS

IR

Vibrations