Geometry & MOs

Info

ID:	379300
PubChem CID:	134357544
Reduced:	ClN4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	64.48
Dipole, Da:	3.25
IP(EA), eV:	-8.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (9,9-dicyano-4a-methyl-4-oxo-2,3,5,8-tetrahydrobenzo[7]annulen-7-yl)methyl carbonate

Drug info:

PubChemData

Smile

CNCC1=CNC2=C1C=CC(=C2)NC3=C(C=CC=N3)Cl

DOS

IR

Vibrations