Geometry & MOs

Info

ID:	302427
PubChem CID:	124361693
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	439.166269
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	5.55
IP(EA), eV:	-9.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[(4-chlorophenyl)methyl]hexanamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)CCCCCN2C(=O)[C@H]3CC4=CC=CC=C4CN3C2=O

DOS

IR

Vibrations