Geometry & MOs

Info

ID:	362366
PubChem CID:	127307457
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	7.75
IP(EA), eV:	-8.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NC2CCN(CC2)C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations