Geometry & MOs

Info

ID:

147112

PubChem CID:

53786765

Reduced:

ON3H31C40 (1)

Stoich.:

AB3C31D40 (1)

Weight, g/mol:

496.233522

ΔHf, kcal/mol:

139.52

Dipole, Da:

3.7

IP(EA), eV:

 -8.03(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-acetyl-1-methylpyrrol-2-yl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-yl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1C2=CC=CC=C2)N(C3C4=C(C5=CC=CC=C35)C(=CC=C4)N)C6=CC7=C(C=C6)C8=CC=CC=C8C7

DOS

IR

Vibrations