Geometry & MOs

Info

ID:	191600
PubChem CID:	78166499
Reduced:	N2O3C8H12 (1)
Stoich.:	A2B3C8D12 (1)
Weight, g/mol:	441.227709
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	5.4
IP(EA), eV:	-9.64(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidin-3-yl]-7-(2-methylphenyl)-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

C1COC2(O1)CC3CNC(=O)N3C2

DOS

IR

Vibrations