Geometry & MOs

Info

ID:	440085
PubChem CID:	135229975
Reduced:	PO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	171.108171
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	4.24
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)piperidine-4-thiol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)/N=C(/C2=CC=C(C=C2)P(=O)(C)C)\N

DOS

IR

Vibrations