Geometry & MOs

Info

ID:	143476
PubChem CID:	53214977
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	232.170626
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	3.76
IP(EA), eV:	-8.91(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NC=C(C(=N2)N3CCOCC3)C(=O)O

DOS

IR

Vibrations