Geometry & MOs

Info

ID:	318188
PubChem CID:	126649459
Reduced:	BrNC5H6 (1)
Stoich.:	ABC5D6 (1)
Weight, g/mol:	390.191657
ΔH_f, kcal/mol:	78.51
Dipole, Da:	1.94
IP(EA), eV:	-9.46(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[(4-morpholin-4-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1CC1(C#CBr)N

DOS

IR

Vibrations