Geometry & MOs

Info

ID:	355552
PubChem CID:	127289310
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	16.62
Dipole, Da:	3.1
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCC3=NC=CS3

DOS

IR

Vibrations