Geometry & MOs

Info

ID:	361551
PubChem CID:	127303743
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	360.173231
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	5.35
IP(EA), eV:	-8.93(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations