Geometry & MOs

Info

ID:	342353
PubChem CID:	127265176
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-109.67
Dipole, Da:	0.99
IP(EA), eV:	-9.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropylbut-2-enoylamino)-1,3-dihydroindene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations