Geometry & MOs

Info

ID:	84910
PubChem CID:	49870632
Reduced:	BrNO3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	479.194402
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	2.46
IP(EA), eV:	-8.15(-0.5)
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;(Z)-but-2-enedioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations