Geometry & MOs

Info

ID:	80543
PubChem CID:	49835054
Reduced:	SN7O7H21C23 (1)
Stoich.:	AB7C7D21E23 (1)
Weight, g/mol:	321.145042
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	13.05
IP(EA), eV:	-8.52(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])NC(=O)CCC(=O)ON4C(=O)CCC4=O

DOS

IR

Vibrations