Geometry & MOs

Info

ID:	137813
PubChem CID:	52266560
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	235.155886
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	4.23
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-prop-2-enylurea

Drug info:

PubChemData

Smile

CCOCCOCC1=CC(=CC=C1)NC(=O)NCC2=CC=C(C=C2)OC

DOS

IR

Vibrations