Geometry & MOs

Info

ID:	390238
PubChem CID:	134997949
Reduced:	ON4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	47.89
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886820
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N[C@H]1C(CC2=CC=CC=C12)[N+]3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations