Geometry & MOs

Info

ID:	326616
PubChem CID:	126687891
Reduced:	N3O3C13H25 (1)
Stoich.:	A3B3C13D25 (1)
Weight, g/mol:	598.27261
ΔH_f, kcal/mol:	-157.01
Dipole, Da:	1.51
IP(EA), eV:	-10.06(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-5-[3-[[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]-2-methylphenyl]-1-methylpyrazin-2-one

Drug info:

PubChemData

Smile

C1CCCC(CCC1)COC(=O)CNC(=O)C(N)N

DOS

IR

Vibrations