Geometry & MOs

Info

ID:	437792
PubChem CID:	135227077
Reduced:	OSN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	2.44
IP(EA), eV:	-8.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-5-methylsulfanylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations