Geometry & MOs

Info

ID:	179458
PubChem CID:	76486082
Reduced:	FNO3C36H52 (1)
Stoich.:	ABC3D36E52 (1)
Weight, g/mol:	237.115364
ΔH_f, kcal/mol:	-230.04
Dipole, Da:	5.34
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-8-azatetracyclo[7.5.1.110,14.02,7]hexadeca-1(15),2,4,6,8-pentaen-16-one

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)NC6=CC=C(C=C6)F)C

DOS

IR

Vibrations