Geometry & MOs

Info

ID:	327764
PubChem CID:	126691002
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	238.146999
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	3.32
IP(EA), eV:	-8.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5Z,9Z)-7-methylidene-1-(pyridin-4-ylmethyl)-2,8-dihydroazecine

Drug info:

PubChemData

Smile

C/C(=N\N)/C1=CC=C(C=C1)OCCCC2C(O2)ON3C(=O)CCC3=S

DOS

IR

Vibrations