Geometry & MOs

Info

ID:	302173
PubChem CID:	124360310
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-102.23
Dipole, Da:	1.83
IP(EA), eV:	-9.32(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10aR)-2-hexyl-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC2=CC=CC=C2CN1

DOS

IR

Vibrations