Geometry & MOs

Info

ID:	431691
PubChem CID:	135171787
Reduced:	PN3O7C27H32 (1)
Stoich.:	AB3C7D27E32 (1)
Weight, g/mol:	336.241293
ΔH_f, kcal/mol:	-249.75
Dipole, Da:	5.82
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[2-methoxypropyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=CC2=C(C=C1C#CC3=CN=CN=C3)C(=CN2CC(=O)OC(C)(C)C)C(=O)C)OCC

DOS

IR

Vibrations