Geometry & MOs

Info

ID:	23340
PubChem CID:	603148
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-72.04
Dipole, Da:	5.57
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations