Geometry & MOs

Info

ID:	137276
PubChem CID:	52182912
Reduced:	ClN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	251.187186
ΔH_f, kcal/mol:	-88.57
Dipole, Da:	2.62
IP(EA), eV:	-8.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-methylpropyl)-3-[3-(pyridin-1-ium-2-ylamino)propyl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)NC(=O)NCC2=CC=CC=C2Cl)OC

DOS

IR

Vibrations