Geometry & MOs

Info

ID:	171295
PubChem CID:	75355509
Reduced:	BrNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	4.2
Dipole, Da:	2.3
IP(EA), eV:	-8.48(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)NCC2=CC=CO2

DOS

IR

Vibrations