Geometry & MOs

Info

ID:	203550
PubChem CID:	79844211
Reduced:	ClNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	353.0375
ΔH_f, kcal/mol:	-115.92
Dipole, Da:	3.35
IP(EA), eV:	-9.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methyl-6-nitrophenoxy)-1-(methylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC(=O)NC2(CCC2)CC(=O)O)Cl

DOS

IR

Vibrations