Geometry & MOs

Info

ID:	83353
PubChem CID:	49857484
Reduced:	BrO4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	309.138974
ΔH_f, kcal/mol:	-169.16
Dipole, Da:	4.32
IP(EA), eV:	-8.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(5-fluoropyridin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@H](CC[C@@H]1[C@@](CCCC1(C)C)(C)O)C2=CC3=CC(=C(C(=C3O2)Br)OC)OC

DOS

IR

Vibrations