Geometry & MOs

Info

ID:	362305
PubChem CID:	127307327
Reduced:	ON6C15H28 (1)
Stoich.:	AB6C15D28 (1)
Weight, g/mol:	294.216809
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	2.88
IP(EA), eV:	-8.61(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(C)NC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations