Geometry & MOs

Info

ID:	20648
PubChem CID:	585010
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	9.65
IP(EA), eV:	-9.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CC(=NNC(=O)C2=CC=NC=C2)C)C

DOS

IR

Vibrations