Geometry & MOs

Info

ID:	362296
PubChem CID:	127307318
Reduced:	ON6C18H28 (1)
Stoich.:	AB6C18D28 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	4.2
Dipole, Da:	3.47
IP(EA), eV:	-8.47(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclobutylmethyl)-1-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C=CC1CCN(CC1)C(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations