Geometry & MOs

Info

ID:	291245
PubChem CID:	111978262
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	575.05052
ΔH_f, kcal/mol:	1.34
Dipole, Da:	2.08
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N'-[(4-bromophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NC3CCN(CC3)CCCOC

DOS

IR

Vibrations