Geometry & MOs

Info

ID:	234687
PubChem CID:	92303309
Reduced:	N3O5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-125.27
Dipole, Da:	4.86
IP(EA), eV:	-9.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(Z)-3-methyl-4-phenylbut-3-enylidene]amino]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)CC(C)(C)N1[C@@H]2[C@@H](C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations