Geometry & MOs

Info

ID:	159338
PubChem CID:	57269588
Reduced:	INO2H16C22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	411.263425
ΔH_f, kcal/mol:	30.77
Dipole, Da:	1.73
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6aR,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]-3-morpholin-4-ylurea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)C=C3C4=C(C=CC(=C4)I)NC3=O

DOS

IR

Vibrations