Geometry & MOs

Info

ID:	173108
PubChem CID:	75597557
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	399.228382
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	6.43
IP(EA), eV:	-7.64(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-(6'-ethyl-4'-methyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7'-yl)-3-methoxyprop-2-enoate

Drug info:

PubChemData

Smile

CCC1C[N+]2(CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4N=C3[O-])C

DOS

IR

Vibrations