Geometry & MOs

Info

ID:	407478
PubChem CID:	135080221
Reduced:	N2H4C7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	357.98883
ΔH_f, kcal/mol:	128.8
Dipole, Da:	5.51
IP(EA), eV:	-9.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3aS)-2-(iodomethyl)-2,3,3a,4,5,6-hexahydropentalen-1-yl]thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)C(C#N)C#N

DOS

IR

Vibrations