Geometry & MOs

Info

ID:	431751
PubChem CID:	135171855
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	460.224119
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	1.39
IP(EA), eV:	-8.22(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)C/C(=N/N)/N)N

DOS

IR

Vibrations