Geometry & MOs

Info

ID:	266661
PubChem CID:	103578229
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	83.83
Dipole, Da:	4.69
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-pent-1-yn-3-ylurea

Drug info:

PubChemData

Smile

CCC(C#C)NC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations