Geometry & MOs

Info

ID:	14071
PubChem CID:	403474
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-43.62
Dipole, Da:	4.36
IP(EA), eV:	-8.31(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,9-diol

Drug info:

PubChemData

Smile

CCCCC1CC2=C(C=CC(=C2)O)C3=NC4=C(N13)C=C(C=C4)O

DOS

IR

Vibrations