Geometry & MOs

Info

ID:	226529
PubChem CID:	87457775
Reduced:	BrClHF3C6 (1)
Stoich.:	ABCD3E6 (1)
Weight, g/mol:	647.16944
ΔH_f, kcal/mol:	-115.16
Dipole, Da:	1.28
IP(EA), eV:	-10.06(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[cyclopentylmethyl(ethyl)amino]-2-methoxy-2H-pyridin-6-yl]methyl]-5-bromopyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Br)F)F)Cl)F

DOS

IR

Vibrations