Geometry & MOs

Info

ID:	230495
PubChem CID:	87571083
Reduced:	ISN2O4C14H15 (1)
Stoich.:	ABC2D4E14F15 (1)
Weight, g/mol:	369.064697
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	3.38
IP(EA), eV:	-8.84(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[6-chloro-5-(4-nitrophenyl)pyridin-3-yl]oxymethyl]cyclopropyl]methanamine;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H](NC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O)NC(=O)CI

DOS

IR

Vibrations