Geometry & MOs

Info

ID:	127873
PubChem CID:	51020356
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-7.26
Dipole, Da:	4.1
IP(EA), eV:	-9.56(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-11-(2-hydroxy-2-phenylethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CCCCN=C1[C@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)[C@H]5[C@H]4[C@@H]3[C@@H]51

DOS

IR

Vibrations