Geometry & MOs

Info

ID:	266751
PubChem CID:	103579291
Reduced:	OCl2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	13.44
Dipole, Da:	3.26
IP(EA), eV:	-9.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-pent-1-yn-3-ylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=CC(=N1)Cl)Cl

DOS

IR

Vibrations