Geometry & MOs

Info

ID:	125227
PubChem CID:	50915897
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	317.12766
ΔH_f, kcal/mol:	2.35
Dipole, Da:	6.65
IP(EA), eV:	-9.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylidene-2-(1-methylindol-3-yl)-8-prop-2-ynyl-7H-imidazo[1,2-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

C=C1CN(C2=NC(=NC(=O)N12)N3CCOCC3)CC4=CC=CC=C4

DOS

IR

Vibrations