Geometry & MOs

Info

ID:	284042
PubChem CID:	104029594
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	319.02079
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	3.41
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl)methyl 3-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations