Geometry & MOs

Info

ID:	432458
PubChem CID:	135172591
Reduced:	O4C19H24 (2)
Stoich.:	A4B19C24 (2)
Weight, g/mol:	271.072369
ΔH_f, kcal/mol:	-317.11
Dipole, Da:	0.87
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[[3-chloro-5-(hydroxymethyl)pyridin-2-yl]amino]ethenyl]carbamate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=CC(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations