Geometry & MOs

Info

ID:	198679
PubChem CID:	79135619
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	4.81
IP(EA), eV:	-9.86(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-pyridin-4-ylmethanol

Drug info:

PubChemData

Smile

C1CCC(CC1)(CN)C(C2=CC=NC=C2)O

DOS

IR

Vibrations