Geometry & MOs

Info

ID:	280342
PubChem CID:	103848520
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	14.96
Dipole, Da:	4.22
IP(EA), eV:	-9.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-methyl-N-pent-4-ynylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCCCC#C)Br

DOS

IR

Vibrations