Geometry & MOs

Info

ID:	431328
PubChem CID:	135171403
Reduced:	BrNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	195.058155
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	5.74
IP(EA), eV:	-9.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dichloromethyl)-2,2-dimethylpiperidine

Drug info:

PubChemData

Smile

CCCC1=C(C=CC=C1Br)NC(=O)C(=C)/C=C\C(=C/C)\C=O

DOS

IR

Vibrations