Geometry & MOs

Info

ID:	363618
PubChem CID:	127311697
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	315.209282
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	4.56
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4CCCN4C

DOS

IR

Vibrations