Geometry & MOs

Info

ID:	189147
PubChem CID:	77823703
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	377.246713
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	9.03
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1H-inden-2-yl)-3-pentan-3-yl-4-(pyridin-2-ylmethyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C(C=C1C2=CC=C(C=C2)OCC(C)CC(C)CN)C#N

DOS

IR

Vibrations