Geometry & MOs

Info

ID:	198698
PubChem CID:	79138366
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	3.82
IP(EA), eV:	-9.16(2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-3-methylcyclohexyl]-(5-ethylfuran-2-yl)methanol

Drug info:

PubChemData

Smile

CCC(C)C(C1(CCC(C1)C)CN)O

DOS

IR

Vibrations