Geometry & MOs

Info

ID:	30011
PubChem CID:	838882
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	3.42
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N=C(N=C2O1)C3=CC=CC=C3)C)N

DOS

IR

Vibrations