Geometry & MOs

Info

ID:	362304
PubChem CID:	127307326
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	308.23246
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	6.12
IP(EA), eV:	-8.34(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2CCCC3=C2C=NN3C)C

DOS

IR

Vibrations