Geometry & MOs

Info

ID:	80566
PubChem CID:	49835164
Reduced:	BrS3N4O7C29H29 (1)
Stoich.:	AB3C4D7E29F29 (1)
Weight, g/mol:	339.155606
ΔH_f, kcal/mol:	-151.93
Dipole, Da:	4.21
IP(EA), eV:	-8.86(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-amino-2-methylpyrimidin-4-yl)-N-cyclopropyl-5-(1H-pyrazol-5-ylamino)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)NCCOCCO)/C3=CSC(=C3O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations