Geometry & MOs

Info

ID:	411618
PubChem CID:	135084450
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	30.63
Dipole, Da:	4.19
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

Drug info:

PubChemData

Smile

C=CCCC(=O)/C=N/NC1=CC=CC=C1

DOS

IR

Vibrations