Geometry & MOs

Info

ID:	294040
PubChem CID:	117424431
Reduced:	O5C14H20 (1)
Stoich.:	A5B14C20 (1)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	-203.61
Dipole, Da:	5.0
IP(EA), eV:	-8.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(9H-pyrido[2,3-b]indol-6-yl)butanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)OC)OC)C(C(=O)OCC)O

DOS

IR

Vibrations