Geometry & MOs

Info

ID:	82843
PubChem CID:	49856659
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	523.236847
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	3.19
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-[3,5-dichloro-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(C)NC(=O)C2=CC=NC=C2

DOS

IR

Vibrations