Geometry & MOs

Info

ID:	194730
PubChem CID:	78582686
Reduced:	BrNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	350.0266
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	4.58
IP(EA), eV:	-9.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 3-bromobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations