Geometry & MOs

Info

ID:	14118
PubChem CID:	404932
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	28.21
Dipole, Da:	11.85
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-8,9,10,11-tetrahydroindolo[2,1-c][1,2,4]benzotriazine-7-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)N=NC3=C(C4=C(N23)CCCC4)C#N

DOS

IR

Vibrations