Geometry & MOs

Info

ID:	181488
PubChem CID:	76750782
Reduced:	OF2N7C24H25 (1)
Stoich.:	AB2C7D24E25 (1)
Weight, g/mol:	422.166666
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	5.59
IP(EA), eV:	-8.99(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[1-(2,4-difluorophenyl)ethyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC2=NC(=NC(=C2)C3=C4N=CC=CN4N=C3)OCC5CCCNC5

DOS

IR

Vibrations