Geometry & MOs

Info

ID:	322880
PubChem CID:	126671520
Reduced:	ON5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	393.278013
ΔH_f, kcal/mol:	28.4
Dipole, Da:	2.12
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N

DOS

IR

Vibrations