Geometry & MOs

Info

ID:	147038
PubChem CID:	53786182
Reduced:	BrO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	465.227709
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	3.76
IP(EA), eV:	-7.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C2=C(C3=C(C=CC(=C3C=C12)O)Br)O)OC

DOS

IR

Vibrations