Geometry & MOs

Info

ID:	435329
PubChem CID:	135191211
Reduced:	IN4C7H7 (1)
Stoich.:	AB4C7D7 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	79.24
Dipole, Da:	2.63
IP(EA), eV:	-8.69(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-N-[(Z)-3-aminobut-2-enethioyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=NC=NC2=C1C=CN2)I

DOS

IR

Vibrations