Geometry & MOs

Info

ID:	362321
PubChem CID:	127307350
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	339.263425
ΔH_f, kcal/mol:	-193.85
Dipole, Da:	8.79
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1CN(CC(O1)C)C(=O)NCCN2CCCS2(=O)=O

DOS

IR

Vibrations