Geometry & MOs

Info

ID:	121525
PubChem CID:	50771964
Reduced:	ON3C13H18 (2)
Stoich.:	AB3C13D18 (2)
Weight, g/mol:	450.274324
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	6.86
IP(EA), eV:	-8.11(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCN(CC3)C4=NN=C(C=C4)N5CCOCC5

DOS

IR

Vibrations