Geometry & MOs

Info

ID:	84911
PubChem CID:	49870635
Reduced:	NO7C27H29 (1)
Stoich.:	AB7C27D29 (1)
Weight, g/mol:	453.215138
ΔH_f, kcal/mol:	-229.84
Dipole, Da:	3.26
IP(EA), eV:	-8.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13aS)-3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(CN4CCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations