Geometry & MOs

Info

ID:	132350
PubChem CID:	51347247
Reduced:	FN5H14C15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	414.115047
ΔH_f, kcal/mol:	48.72
Dipole, Da:	6.07
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-diamino-4-(2-methoxyphenyl)-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)NC3CC4=C(C3)C=C(C=C4)F

DOS

IR

Vibrations