Geometry & MOs

Info

ID:	272769
PubChem CID:	103756393
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	2.56
Dipole, Da:	4.68
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hex-5-ynylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CCCN2C(=O)C3=C(N=CC=C3)Br

DOS

IR

Vibrations