Geometry & MOs

Info

ID:	365467
PubChem CID:	127317886
Reduced:	O2N3C7H12 (2)
Stoich.:	A2B3C7D12 (2)
Weight, g/mol:	328.193297
ΔH_f, kcal/mol:	-174.64
Dipole, Da:	7.17
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-(thian-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)NCCN2C(=O)CNC2=O

DOS

IR

Vibrations