Geometry & MOs

Info

ID:	362240
PubChem CID:	127307253
Reduced:	OSN6C15H18 (1)
Stoich.:	ABC6D15E18 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	84.39
Dipole, Da:	3.76
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=CSC(=N2)NC(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations