Geometry & MOs

Info

ID:	81742
PubChem CID:	49855077
Reduced:	FOSN2H25C28 (1)
Stoich.:	ABCD2E25F28 (1)
Weight, g/mol:	290.141913
ΔH_f, kcal/mol:	6.06
Dipole, Da:	4.98
IP(EA), eV:	-8.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-13-oxa-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),8(21),9,11,15,17,19-heptaene

Drug info:

PubChemData

Smile

C1CN(CC2=C1N3C4=CC=CC=C4CSC5=CC=CC2=C53)CCCC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations