Geometry & MOs

Info

ID:	443319
PubChem CID:	135258559
Reduced:	N3O3C7H9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	384.146537
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	4.47
IP(EA), eV:	-8.76(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethenamine

Drug info:

PubChemData

Smile

CN1/C(=C/N=O)/C=C(N1)C(=O)OC

DOS

IR

Vibrations