Geometry & MOs

Info

ID:	76330
PubChem CID:	48424788
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	5.74
IP(EA), eV:	-9.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations