Geometry & MOs

Info

ID:	284545
PubChem CID:	104051651
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	325.06774
ΔH_f, kcal/mol:	-67.98
Dipole, Da:	1.58
IP(EA), eV:	-9.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-piperidin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2CCCN2)C)Br

DOS

IR

Vibrations