Geometry & MOs

Info

ID:	362323
PubChem CID:	127307352
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	281.185175
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.01
IP(EA), eV:	-8.45(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC2=CC=C(C=C2)OC3CCCC3)C

DOS

IR

Vibrations