Geometry & MOs

Info

ID:	358160
PubChem CID:	127295705
Reduced:	ON6C19H32 (1)
Stoich.:	AB6C19D32 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-31.83
Dipole, Da:	6.31
IP(EA), eV:	-8.59(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CCNC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations