Geometry & MOs

Info

ID:	388137
PubChem CID:	134988300
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	4.27
IP(EA), eV:	-10.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)(N=C=O)Br

DOS

IR

Vibrations