Geometry & MOs

Info

ID:	75058
PubChem CID:	48422931
Reduced:	N4O5C21H30 (1)
Stoich.:	A4B5C21D30 (1)
Weight, g/mol:	339.215806
ΔH_f, kcal/mol:	-193.5
Dipole, Da:	1.55
IP(EA), eV:	-9.13(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CC(=O)N3CCOCC3

DOS

IR

Vibrations