Geometry & MOs

Info

ID:	447341
PubChem CID:	135282138
Reduced:	OF3N3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	353.106168
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	4.03
IP(EA), eV:	-9.53(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-chloro-4-(2-chloropyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1F)C2=NC(=C(C=C2)OC[C@@H](C)CC(C)(C)N)C(F)F

DOS

IR

Vibrations