Geometry & MOs

Info

ID:	197097
PubChem CID:	78921758
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-69.19
Dipole, Da:	2.95
IP(EA), eV:	-9.06(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-butylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN(C1)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations