Geometry & MOs

Info

ID:	175126
PubChem CID:	75859065
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	396.114866
ΔH_f, kcal/mol:	-153.64
Dipole, Da:	4.44
IP(EA), eV:	-7.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-chlorothiophen-2-yl)methyl-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-methylazanium

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)CC(=O)N3CC4=CC=CC=C4CC3C(=O)OC)OC

DOS

IR

Vibrations