Geometry & MOs

Info

ID:	363838
PubChem CID:	127313495
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	5.37
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C

DOS

IR

Vibrations