Geometry & MOs

Info

ID:	197480
PubChem CID:	78969719
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	349.99022
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	4.99
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenoxy)-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=C(C=C(C=C1)C(=O)NC)[N+](=O)[O-]

DOS

IR

Vibrations