Geometry & MOs

Info

ID:	362317
PubChem CID:	127307346
Reduced:	ON5C19H37 (1)
Stoich.:	AB5C19D37 (1)
Weight, g/mol:	297.216475
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	2.35
IP(EA), eV:	-8.4(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2CCN(CC2)CC3CCCC3)C

DOS

IR

Vibrations