Geometry & MOs

Info

ID:	362300
PubChem CID:	127307322
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	9.2
Dipole, Da:	3.83
IP(EA), eV:	-8.62(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)NC2CCN(CC2)C3=CC=CC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations