Geometry & MOs

Info

ID:	230496
PubChem CID:	87571087
Reduced:	Cl2N3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	369.064697
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	6.61
IP(EA), eV:	-9.73(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-chloro-5-(4-nitrophenyl)pyridin-3-yl]oxymethyl]-N-methylcyclopropan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C1CC1(CN)COC2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-].Cl

DOS

IR

Vibrations