Geometry & MOs

Info

ID:	375587
PubChem CID:	134214034
Reduced:	INO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	2.42
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-chloro-5-(2-hydroxyethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CNCCC1(OCCO1)CI

DOS

IR

Vibrations