Geometry & MOs

Info

ID:	198676
PubChem CID:	79135616
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	3.77
IP(EA), eV:	-9.31(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol

Drug info:

PubChemData

Smile

CCC(C)(CN)C(C1=CC=CC=C1)O

DOS

IR

Vibrations