Geometry & MOs

Info

ID:	389035
PubChem CID:	134990943
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	4.86
IP(EA), eV:	-8.63(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[(1S,9R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-17-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C[C@@H]3[C@@]45[C@@]2(CCC[C@@H]4O5)CCN3C(=O)C6CCC6)C=C1

DOS

IR

Vibrations