Geometry & MOs

Info

ID:	56851
PubChem CID:	22394397
Reduced:	ClSN2O5H13C18 (1)
Stoich.:	ABC2D5E13F18 (1)
Weight, g/mol:	142.146999
ΔH_f, kcal/mol:	-73.29
Dipole, Da:	5.01
IP(EA), eV:	-8.76(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-ylpiperidin-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)O

DOS

IR

Vibrations