Geometry & MOs

Info

ID:	283621
PubChem CID:	103993848
Reduced:	BrINO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-66.48
Dipole, Da:	4.76
IP(EA), eV:	-9.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypropyl)-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)COCCCNC(=O)C1=C(C=CC(=C1)I)Br

DOS

IR

Vibrations