Geometry & MOs

Info

ID:	82330
PubChem CID:	49855898
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	415.283492
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	5.97
IP(EA), eV:	-8.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCOCC3

DOS

IR

Vibrations