Geometry & MOs

Info

ID:	266743
PubChem CID:	103579261
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	17.71
Dipole, Da:	3.05
IP(EA), eV:	-9.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=NNC(=O)C2=CC=CC=C21

DOS

IR

Vibrations