Geometry & MOs

Info

ID:	419256
PubChem CID:	135107831
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	371.17644
ΔH_f, kcal/mol:	-156.94
Dipole, Da:	4.68
IP(EA), eV:	-9.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NCCC(=O)NCC2CCOC2

DOS

IR

Vibrations