Geometry & MOs

Info

ID:	25359
PubChem CID:	623505
Reduced:	N3O4H11C13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	369.90271
ΔH_f, kcal/mol:	34.22
Dipole, Da:	4.33
IP(EA), eV:	-9.91(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(4-bromophenyl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations