Geometry & MOs

Info

ID:	397977
PubChem CID:	135031249
Reduced:	FN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	435.1987
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	2.22
IP(EA), eV:	-9.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-benzhydrylidene-15-phenyl-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations