Geometry & MOs

Info

ID:	157449
PubChem CID:	56427221
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	447.10452
ΔH_f, kcal/mol:	-163.52
Dipole, Da:	5.74
IP(EA), eV:	-8.95(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(3-bromo-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCCN2C3=CC=CC=C3OC2=O)CCC(=O)N

DOS

IR

Vibrations