Geometry & MOs

Info

ID:	48401
PubChem CID:	10544708
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	1.53
IP(EA), eV:	-8.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cyclobutanecarboxylate

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC=CC=C2C3=CC=CC4=C3N(C=C4)COC)C

DOS

IR

Vibrations