Geometry & MOs

Info

ID:	279211
PubChem CID:	103842074
Reduced:	ClNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	358.99238
ΔH_f, kcal/mol:	6.69
Dipole, Da:	1.92
IP(EA), eV:	-9.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-1-(3-bromo-4-chlorobenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C(=O)NCCCC#C

DOS

IR

Vibrations