Geometry & MOs

Info

ID:	293618
PubChem CID:	117394508
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	1.57
Dipole, Da:	3.92
IP(EA), eV:	-9.04(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-isocyanatocyclopropyl)phenyl]-1-methylpiperidine

Drug info:

PubChemData

Smile

CN1CC(C1)C2=CC(=CC=C2)C3(CCCC3)N=C=O

DOS

IR

Vibrations