Geometry & MOs

Info

ID:	426962
PubChem CID:	135154727
Reduced:	N3O3H11C14 (1)
Stoich.:	A3B3C11D14 (1)
Weight, g/mol:	495.05938
ΔH_f, kcal/mol:	29.87
Dipole, Da:	6.92
IP(EA), eV:	-8.97(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-amino-4-(3-bromophenyl)-4-(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC3=C(N2)C=NC=C3

DOS

IR

Vibrations