Geometry & MOs

Info

ID:	143798
PubChem CID:	53265246
Reduced:	BrO2N6H17C19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	322.100066
ΔH_f, kcal/mol:	92.2
Dipole, Da:	7.43
IP(EA), eV:	-8.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)N/N=C/C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations