Geometry & MOs

Info

ID:	395833
PubChem CID:	135026671
Reduced:	NC28H29 (1)
Stoich.:	AB28C29 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	100.09
Dipole, Da:	1.41
IP(EA), eV:	-8.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 10-(2-methoxy-2-oxoethylidene)-12-azatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene-12-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations