Geometry & MOs

Info

ID:	199532
PubChem CID:	79262639
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	30.13
Dipole, Da:	1.74
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)COC2=C(C=CC=C2Br)CNC3CC3

DOS

IR

Vibrations