Geometry & MOs

Info

ID:	324153
PubChem CID:	126677038
Reduced:	ON9C21H29 (1)
Stoich.:	AB9C21D29 (1)
Weight, g/mol:	433.233857
ΔH_f, kcal/mol:	71.64
Dipole, Da:	9.99
IP(EA), eV:	-8.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CNCCN(C)C(=O)C1=CC=C(C=C1)CN2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations