Geometry & MOs

Info

ID:	185852
PubChem CID:	77360660
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	421.222623
ΔH_f, kcal/mol:	41.34
Dipole, Da:	4.87
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetylphenyl)-4-butyl-3-[[5-(tetrazolidin-5-yl)pyridin-2-yl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C=NC4C3NC(NC4=O)N

DOS

IR

Vibrations