Geometry & MOs

Info

ID:	203551
PubChem CID:	79845071
Reduced:	BrN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	355.05315
ΔH_f, kcal/mol:	1.15
Dipole, Da:	6.93
IP(EA), eV:	-9.83(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(4-bromo-2-methyl-6-nitrophenoxy)-2-methylhexanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2CCC(C2)(C#N)NC)[N+](=O)[O-])Br

DOS

IR

Vibrations