Geometry & MOs

Info

ID:	267352
PubChem CID:	103581957
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	237.092042
ΔH_f, kcal/mol:	-0.51
Dipole, Da:	3.71
IP(EA), eV:	-9.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCCC#C)Cl

DOS

IR

Vibrations