Geometry & MOs

Info

ID:	43859
PubChem CID:	10321895
Reduced:	BrNO3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	378.206919
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	12.48
IP(EA), eV:	-7.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,12S,14R)-4-benzyl-9-methoxy-4-methyl-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

Drug info:

PubChemData

Smile

C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)CC5=CC=CC=C5.[Br-]

DOS

IR

Vibrations