Geometry & MOs

Info

ID:	142113
PubChem CID:	52984098
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	6.91
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-bromopropanoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=CN=C2)C(=O)O)OC

DOS

IR

Vibrations