Geometry & MOs

Info

ID:	143797
PubChem CID:	53265181
Reduced:	SN2O3C16H16 (2)
Stoich.:	AB2C3D16E16 (2)
Weight, g/mol:	440.05964
ΔH_f, kcal/mol:	-176.18
Dipole, Da:	9.64
IP(EA), eV:	-8.39(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(O3)CCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

DOS

IR

Vibrations