Geometry & MOs

Info

ID:	80567
PubChem CID:	49835166
Reduced:	ON9C15H17 (1)
Stoich.:	AB9C15D17 (1)
Weight, g/mol:	320.149793
ΔH_f, kcal/mol:	105.17
Dipole, Da:	8.01
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-amino-2-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-1H-indazol-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2C(=CC(=N2)C(=O)NC3CC3)NC4=CC=NN4)N

DOS

IR

Vibrations