Geometry & MOs

Info

ID:	190280
PubChem CID:	77980492
Reduced:	FON2H25C26 (1)
Stoich.:	ABC2D25E26 (1)
Weight, g/mol:	410.24819
ΔH_f, kcal/mol:	26.35
Dipole, Da:	8.03
IP(EA), eV:	-8.37(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[2-[1-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinolin-5a-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC1C23CN4C=NC(=C4C=C2CCCC3C1(C5=CC=CC=C5)O)C6=CC=C(C=C6)F

DOS

IR

Vibrations