Geometry & MOs

Info

ID:	151246
PubChem CID:	53790946
Reduced:	PN3C6O7H12 (1)
Stoich.:	AB3C6D7E12 (1)
Weight, g/mol:	325.11365
ΔH_f, kcal/mol:	-295.75
Dipole, Da:	4.25
IP(EA), eV:	-10.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-ethyl-3,5,6-trimethyl-4-oxothieno[2,3-b]pyridin-2-yl)benzaldehyde

Drug info:

PubChemData

Smile

CC(C(C(C(=O)C([N-][N+]#N)P(=O)(O)O)O)O)O

DOS

IR

Vibrations