Geometry & MOs

Info

ID:	203552
PubChem CID:	79845072
Reduced:	BrN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	355.05315
ΔH_f, kcal/mol:	-10.72
Dipole, Da:	3.39
IP(EA), eV:	-9.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methyl-6-nitrophenoxy)-2-methyl-2-(propan-2-ylamino)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCCCC(C)(C#N)N)[N+](=O)[O-])Br

DOS

IR

Vibrations