Geometry & MOs

Info

ID:	400084
PubChem CID:	135045180
Reduced:	NSO4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	2.93
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-12-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=N1)OCC2=CC(=CC=C2)OC

DOS

IR

Vibrations