Geometry & MOs

Info

ID:	195380
PubChem CID:	78680009
Reduced:	N3O6C16H19 (1)
Stoich.:	A3B6C16D19 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	-142.97
Dipole, Da:	5.53
IP(EA), eV:	-9.83(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-oxo-1-[(5-phenylthiophen-2-yl)methylideneamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations