Geometry & MOs

Info

ID:	139495
PubChem CID:	52542464
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	348.01612
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	2.7
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl (1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)COC(=O)CCC1=NC2=CC=CC=C2C(=O)N1C3CC3

DOS

IR

Vibrations