Geometry & MOs

Info

ID:	266553
PubChem CID:	103570568
Reduced:	IN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	307.04326
ΔH_f, kcal/mol:	77.2
Dipole, Da:	0.58
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC=C1I)C2=CN(N=C2)CC

DOS

IR

Vibrations