Geometry & MOs

Info

ID:	431563
PubChem CID:	135171651
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	460.224119
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	2.78
IP(EA), eV:	-8.3(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(2-chloropyrimidin-5-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCC(CC=C)N(CC(C)C)C1CCOCC1

DOS

IR

Vibrations