Geometry & MOs

Info

ID:	159820
PubChem CID:	57288785
Reduced:	OS2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	389.257946
ΔH_f, kcal/mol:	-31.6
Dipole, Da:	0.13
IP(EA), eV:	-8.73(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-N,N,4,6-tetramethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCSC1(CC1)C(=O)C2(CC2)SCCC

DOS

IR

Vibrations