Geometry & MOs

Info

ID:	394019
PubChem CID:	135022175
Reduced:	NOH13C18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	51.28
Dipole, Da:	5.8
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dimethoxy-2-methyl-8a,9-dihydro-4bH-carbazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2[C@@H](C3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations