Geometry & MOs

Info

ID:	36524
PubChem CID:	8007957
Reduced:	FOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	-15.07
Dipole, Da:	3.18
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-5,7-diphenyl-1,4-diazabicyclo[4.1.0]hept-4-ene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)F

DOS

IR

Vibrations