Geometry & MOs

Info

ID:	221386
PubChem CID:	85272341
Reduced:	ClO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-124.62
Dipole, Da:	2.55
IP(EA), eV:	-9.91(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1COC(OC1CCC=CCCl)(C)C

DOS

IR

Vibrations