Geometry & MOs

Info

ID:	401580
PubChem CID:	135051683
Reduced:	N2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	268.00025
ΔH_f, kcal/mol:	91.36
Dipole, Da:	1.74
IP(EA), eV:	-8.13(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzoselenophen-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/N=C(\CC2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations