Geometry & MOs

Info

ID:	266710
PubChem CID:	103579154
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	251.071306
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	2.67
IP(EA), eV:	-9.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methoxy-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC=C(O1)Cl

DOS

IR

Vibrations