Geometry & MOs

Info

ID:	147036
PubChem CID:	53786179
Reduced:	ClO3N7C25H27 (1)
Stoich.:	AB3C7D25E27 (1)
Weight, g/mol:	464.397794
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	6.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756477
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(9-cyclopentyl-5,5-dimethylnonoxy)-2-methylhexan-2-yl]-1-ethyl-4-hydroxyimidazol-2-one

Drug info:

PubChemData

Smile

C1C[N+](C(=O)CN1CC2=CC3=C(N2)C=CC(=C3)Cl)(CC4=CC5=C(C=C4)C(=NC=N5)N)C(=O)NCCO

DOS

IR

Vibrations