Geometry & MOs

Info

ID:	368524
PubChem CID:	127329346
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	4.98
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations