Geometry & MOs

Info

ID:	407140
PubChem CID:	135079388
Reduced:	BrNO2H24C25 (1)
Stoich.:	ABC2D24E25 (1)
Weight, g/mol:	331.075253
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	6.07
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=C)C(=O)N(CC2=CC=C(C=C2)OC)C3=CC=CC=C3Br

DOS

IR

Vibrations