Geometry & MOs

Info

ID:	441467
PubChem CID:	135235065
Reduced:	FC15H17 (1)
Stoich.:	AB15C17 (1)
Weight, g/mol:	360.162649
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	1.22
IP(EA), eV:	-9.15(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13E)-6,13-diphenyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8,13,15-heptaene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)[C@]23CCC(C2)C=C3

DOS

IR

Vibrations