Geometry & MOs

Info

ID:	447334
PubChem CID:	135282095
Reduced:	ClN4O4C24H33 (1)
Stoich.:	AB4C4D24E33 (1)
Weight, g/mol:	333.16079
ΔH_f, kcal/mol:	-156.5
Dipole, Da:	4.6
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC=N2)NC(=O)C)Cl)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations