Geometry & MOs

Info

ID:	448305
PubChem CID:	135290020
Reduced:	FN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	375.01062
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	3.65
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromo-3-methoxyphenyl)prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)F)C3=CCNCC3

DOS

IR

Vibrations