Geometry & MOs

Info

ID:	182142
PubChem CID:	76852616
Reduced:	ClN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	3.82
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(3-aminopropyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]acetamide;hydrochloride

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC(=O)C2=C(N(C3=CC=CC=C32)C4=CC=CC=C4)Cl

DOS

IR

Vibrations