Geometry & MOs

Info

ID:	443330
PubChem CID:	135258601
Reduced:	N3C12H16 (2)
Stoich.:	A3B12C16 (2)
Weight, g/mol:	384.146537
ΔH_f, kcal/mol:	92.34
Dipole, Da:	3.96
IP(EA), eV:	-8.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(8-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethenamine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=C)N/N=C\3/CCN(C4=C3N=CC=C4)C

DOS

IR

Vibrations