Geometry & MOs

Info

ID:	406700
PubChem CID:	135078385
Reduced:	BO3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	212.094963
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.028222
Charge, e:	0

Chem-info

IUPAC name:

(9-methylpyrido[2,3-b]indol-3-yl)methanol

Drug info:

PubChemData

Smile

[B-]12(OCC(CO1)(CO2)C)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations