Geometry & MOs

Info

ID:	176535
PubChem CID:	76063598
Reduced:	NO5C30H53 (1)
Stoich.:	AB5C30D53 (1)
Weight, g/mol:	471.238273
ΔH_f, kcal/mol:	-311.13
Dipole, Da:	9.06
IP(EA), eV:	-10.3(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C2(CCCCC2)C(=O)N

DOS

IR

Vibrations