Geometry & MOs

Info

ID:	181577
PubChem CID:	76762371
Reduced:	NO6C35H52 (1)
Stoich.:	AB6C35D52 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-205.84
Dipole, Da:	8.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.767916
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-1-propan-2-yl-8-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)CCCCCCC=CC(C(=O)N[CH]CC1=CC=C(C=C1)OC2CCCCC2)C([CH])(C(=O)O)O

DOS

IR

Vibrations