Geometry & MOs

Info

ID:	31152
PubChem CID:	854810
Reduced:	ClNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	295.027917
ΔH_f, kcal/mol:	-81.04
Dipole, Da:	3.7
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-(pyridin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Cl)[C@]2(C3=CC=CC=C3NC2=O)O

DOS

IR

Vibrations