Geometry & MOs

Info

ID:	198678
PubChem CID:	79135618
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-72.24
Dipole, Da:	2.32
IP(EA), eV:	-9.42(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)cyclohexyl]-pyridin-4-ylmethanol

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C(C2=CC=CO2)O

DOS

IR

Vibrations