Geometry & MOs

Info

ID:	282288
PubChem CID:	103921492
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-77.3
Dipole, Da:	2.84
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCOC1CC(C12CCCCC2)NCC(C3=CSC=C3)O

DOS

IR

Vibrations