Geometry & MOs

Info

ID:	266719
PubChem CID:	103579191
Reduced:	ON3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	255.021769
ΔH_f, kcal/mol:	57.24
Dipole, Da:	3.34
IP(EA), eV:	-10.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC2=NC=CN=C2C=C1

DOS

IR

Vibrations