Geometry & MOs

Info

ID:	262250
PubChem CID:	103279772
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	337.06774
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	2.44
IP(EA), eV:	-8.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromo-4-methylphenyl)-N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NCC2CCC(C2)O)OC

DOS

IR

Vibrations