Geometry & MOs

Info

ID:	26654
PubChem CID:	794469
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	3.69
IP(EA), eV:	-8.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H](C(=O)N(C1=O)C2=CC=C(C=C2)Br)NC3=CC=CC=C3

DOS

IR

Vibrations