Geometry & MOs

Info

ID:	262813
PubChem CID:	103319670
Reduced:	BrON5C8H8 (1)
Stoich.:	ABC5D8E8 (1)
Weight, g/mol:	273.02252
ΔH_f, kcal/mol:	46.03
Dipole, Da:	8.16
IP(EA), eV:	-9.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(aminomethyl)-3-bromo-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(N2C(=C(C(=N2)C(=O)N)Br)N=C1)CN

DOS

IR

Vibrations