Geometry & MOs

Info

ID:	403804
PubChem CID:	135061934
Reduced:	SN4O4H22C23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	208.100048
ΔH_f, kcal/mol:	-74.43
Dipole, Da:	5.83
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC=N1)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)N=CC=C3

DOS

IR

Vibrations