Geometry & MOs

Info

ID:	140045
PubChem CID:	52635673
Reduced:	O2N3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	23.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.894380
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylamino)phenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)C1=CC=C(C=C1)NC(=O)C2=CC=C(NC2=O)C3=CC=CC=C3

DOS

IR

Vibrations