Geometry & MOs

Info

ID:	25753
PubChem CID:	630485
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	33.73
Dipole, Da:	2.73
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-ol

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N=CC2C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C

DOS

IR

Vibrations