Geometry & MOs

Info

ID:	157450
PubChem CID:	56430200
Reduced:	BrNO4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	429.215138
ΔH_f, kcal/mol:	-151.01
Dipole, Da:	7.27
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)CCC2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations