Geometry & MOs

Info

ID:	207043
PubChem CID:	80337437
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	304.134241
ΔH_f, kcal/mol:	7.05
Dipole, Da:	3.96
IP(EA), eV:	-9.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[(2-chlorophenyl)methoxy]pyridin-4-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=NC=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])NC

DOS

IR

Vibrations