Geometry & MOs

Info

ID:	152486
PubChem CID:	56311423
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	0.75
IP(EA), eV:	-8.68(-0.74)
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)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCC(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations