Geometry & MOs

Info

ID:	365189
PubChem CID:	127317006
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	398.188881
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	3.12
IP(EA), eV:	-8.77(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)CC(=O)N3CCOC4C3CCCC4

DOS

IR

Vibrations