Geometry & MOs

Info

ID:	276106
PubChem CID:	103820612
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	353.09904
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	4.64
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromo-4-methylphenyl)-N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)/C=C/C1=C(N(N=C1C)C)C

DOS

IR

Vibrations