Geometry & MOs

Info

ID:	367708
PubChem CID:	127325486
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	2.9
IP(EA), eV:	-9.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COC(C2=CC=CC=C21)CC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations