Geometry & MOs

Info

ID:	402549
PubChem CID:	135056344
Reduced:	O6C9H16 (1)
Stoich.:	A6B9C16 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-283.29
Dipole, Da:	3.03
IP(EA), eV:	-10.45(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)[C@@H](CO)O)O)C

DOS

IR

Vibrations