Geometry & MOs

Info

ID:	447342
PubChem CID:	135282139
Reduced:	OCl2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	353.106168
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	4.34
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[2-chloro-4-(2-chloropyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=C(C=C(C=C1)C2=NC(=NC=C2)Cl)Cl)N

DOS

IR

Vibrations