Geometry & MOs

Info

ID:	364920
PubChem CID:	127316566
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-33.44
Dipole, Da:	3.56
IP(EA), eV:	-8.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=NN2C)OC)C)CCC(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations