Geometry & MOs

Info

ID:	74272
PubChem CID:	48421663
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	310.189257
ΔH_f, kcal/mol:	-198.51
Dipole, Da:	2.49
IP(EA), eV:	-9.31(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations