Geometry & MOs

Info

ID:	141176
PubChem CID:	52830318
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	398.0266
ΔH_f, kcal/mol:	-187.19
Dipole, Da:	5.87
IP(EA), eV:	-9.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[6-(3-bromophenoxy)pyridin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC(=O)[C@@H]2CCCN(C2)C(=O)C3CC3)C(=O)OC

DOS

IR

Vibrations