Geometry & MOs

Info

ID:	322911
PubChem CID:	126671565
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	379.262363
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	0.96
IP(EA), eV:	-8.77(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-[4-[4-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]phenyl]ethyl]piperazine

Drug info:

PubChemData

Smile

C1CCC(C1)OCC2=CC(=CC=C2)NC(=O)C3CCNCC3

DOS

IR

Vibrations