Geometry & MOs

Info

ID:	281068
PubChem CID:	103852727
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	353.06266
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	4.18
IP(EA), eV:	-8.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-bromo-3-methylbenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC(=C2Br)C

DOS

IR

Vibrations