Geometry & MOs

Info

ID:	360545
PubChem CID:	127301190
Reduced:	O4N5C17H27 (1)
Stoich.:	A4B5C17D27 (1)
Weight, g/mol:	355.192963
ΔH_f, kcal/mol:	-124.89
Dipole, Da:	3.55
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(thian-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations