Geometry & MOs

Info

ID:	318201
PubChem CID:	126649538
Reduced:	NO7C12H13 (1)
Stoich.:	AB7C12D13 (1)
Weight, g/mol:	431.218206
ΔH_f, kcal/mol:	-280.04
Dipole, Da:	7.22
IP(EA), eV:	-10.54(-1.55)
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]phenyl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CN)C(CO)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations