Geometry & MOs

Info

ID:	447386
PubChem CID:	135282520
Reduced:	ClF2N4O5H31C32 (1)
Stoich.:	AB2C4D5E31F32 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-203.99
Dipole, Da:	4.65
IP(EA), eV:	-9.83(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(6-methoxypyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=N3)C#N)(C4=CC=C(C=C4)Cl)O[C@H]5CCOC5)(C6(CCOCC6)F)O

DOS

IR

Vibrations