Geometry & MOs

Info

ID:	51349
PubChem CID:	12014003
Reduced:	NO5H17C21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	393.121237
ΔH_f, kcal/mol:	-103.06
Dipole, Da:	1.64
IP(EA), eV:	-8.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,16,17-trimethoxy-13-methyl-3,5-dioxa-13-azapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1,6,8,10,12(21),15(20),16,18-octaen-14-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC3=CC4=C(C(=C32)C5=CC(=C(C=C5C1=O)OC)OC)OCO4

DOS

IR

Vibrations