Geometry & MOs

Info

ID:	82645
PubChem CID:	49856280
Reduced:	O2N3C26H35 (1)
Stoich.:	A2B3C26D35 (1)
Weight, g/mol:	517.255226
ΔH_f, kcal/mol:	-35.1
Dipole, Da:	5.25
IP(EA), eV:	-8.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations