Geometry & MOs

Info

ID:	198696
PubChem CID:	79138024
Reduced:	NOC18H37 (1)
Stoich.:	ABC18D37 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-121.79
Dipole, Da:	0.14
IP(EA), eV:	-9.37(2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCC(C1(CCC(CC1)C(C)C)CN)O

DOS

IR

Vibrations