Geometry & MOs

Info

ID:	747
PubChem CID:	3308
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-124.5
Dipole, Da:	5.42
IP(EA), eV:	-8.57(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O

DOS

IR

Vibrations