Geometry & MOs

Info

ID:	30204
PubChem CID:	840704
Reduced:	NS2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	39.51
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783706
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

CC[N+]1=C(SC2=C1C3=CC=CC=C3S2)C

DOS

IR

Vibrations