Geometry & MOs

Info

ID:	176489
PubChem CID:	76059593
Reduced:	N4O5C38H42 (1)
Stoich.:	A4B5C38D42 (1)
Weight, g/mol:	497.290309
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	7.15
IP(EA), eV:	-8.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-diethylphenyl)-4-propyl-3-[[4-[2-(tetrazolidin-5-yl)pyridin-3-yl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CCC(=O)NC(C(CC(=O)N)C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations