Geometry & MOs

Info

ID:	198629
PubChem CID:	79127547
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	2.04
IP(EA), eV:	-9.15(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)oxan-4-yl]-2,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CCC1CCC(C1)(CN)C2(CCCC3=CC=CC=C32)O

DOS

IR

Vibrations