Geometry & MOs

Info

ID:	43102
PubChem CID:	10318557
Reduced:	BFNOCl2H13C21 (1)
Stoich.:	ABCDE2F13G21 (1)
Weight, g/mol:	395.04941
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	4.46
IP(EA), eV:	-9.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

B(C1=CC(=CC=C1)F)(C2=CC(=C(C=C2)Cl)Cl)OC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations