Geometry & MOs

Info

ID:	180502
PubChem CID:	76644332
Reduced:	N2O3C23H36 (1)
Stoich.:	A2B3C23D36 (1)
Weight, g/mol:	428.231122
ΔH_f, kcal/mol:	-155.64
Dipole, Da:	2.28
IP(EA), eV:	-9.03(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-ethyl-7a-hydroxy-8-methoxy-9-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2CCCCC2OCC3=CC=CC=C3

DOS

IR

Vibrations