Geometry & MOs

Info

ID:	89503
PubChem CID:	49962141
Reduced:	OSN5H17C23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	125.9
Dipole, Da:	5.5
IP(EA), eV:	-8.31(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-5-cyano-4-(9-ethylcarbazol-3-yl)-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=S)N

DOS

IR

Vibrations