Geometry & MOs

Info

ID:	214587
PubChem CID:	85083236
Reduced:	NO5C35H39 (1)
Stoich.:	AB5C35D39 (1)
Weight, g/mol:	557.10381
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	3.97
IP(EA), eV:	-9.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[2-[5-bromo-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]methyl]tetrazolidine

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(C(CO)O)NCC2=CC=CC=C2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations