Geometry & MOs

Info

ID:	282769
PubChem CID:	103938269
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	1.46
IP(EA), eV:	-8.38(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-[benzyl(propan-2-yl)amino]pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CC(OC(C2)C)C)O

DOS

IR

Vibrations