Geometry & MOs

Info

ID:	264516
PubChem CID:	103466272
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-117.05
Dipole, Da:	4.31
IP(EA), eV:	-8.87(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2-methoxy-1-phenylethanol

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)N2CCC(CC2)CC(=O)O

DOS

IR

Vibrations