Geometry & MOs

Info

ID:	138350
PubChem CID:	52352678
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	4.26
IP(EA), eV:	-8.91(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CN(CC#C)[C@@H]2CCC3=CC=CC=C23

DOS

IR

Vibrations