Geometry & MOs

Info

ID:	266554
PubChem CID:	103570569
Reduced:	BrN5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	335.07456
ΔH_f, kcal/mol:	84.41
Dipole, Da:	1.63
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-cyclopropyl-N-ethyl-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NC(=C(C(=N2)N)Br)C3CC3

DOS

IR

Vibrations