Geometry & MOs

Info

ID:	380336
PubChem CID:	134970747
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	222.142725
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	4.35
IP(EA), eV:	-9.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=O)CCC1C(=O)OC)CC2=C(N=CC=C2)Br

DOS

IR

Vibrations