Geometry & MOs

Info

ID:	444488
PubChem CID:	135262621
Reduced:	ClN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	362.06299
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	1.85
IP(EA), eV:	-10.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(5-bromopyridin-2-yl)cyclopropane-1-carboxylate;1-phenylethylazanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1C2=CN=C(C=N2)Cl

DOS

IR

Vibrations