Geometry & MOs

Info

ID:	3432
PubChem CID:	9651
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	3.63
IP(EA), eV:	-8.2(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O

DOS

IR

Vibrations