Geometry & MOs

Info

ID:	355643
PubChem CID:	127289401
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	6.6
IP(EA), eV:	-8.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CNC4=CC=CC=C4C3=O

DOS

IR

Vibrations