Geometry & MOs

Info

ID:	34064
PubChem CID:	7889654
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	389.06266
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	3.02
IP(EA), eV:	-9.25(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations