Geometry & MOs

Info

ID:	186219
PubChem CID:	77405409
Reduced:	FNOC25H32 (1)
Stoich.:	ABCD25E32 (1)
Weight, g/mol:	378.267114
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	5.62
IP(EA), eV:	-9.34(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,17-dimethyl-16-pyridin-3-yl-7-azatetracyclo[10.7.0.02,9.013,17]nonadec-15-en-6-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)F)C2=CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

DOS

IR

Vibrations