Geometry & MOs

Info

ID:	358028
PubChem CID:	127295564
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	7.81
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations