Geometry & MOs

Info

ID:	266662
PubChem CID:	103578262
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	270.032668
ΔH_f, kcal/mol:	14.98
Dipole, Da:	5.05
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-pent-1-yn-3-ylurea

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations