Geometry & MOs

Info

ID:	364121
PubChem CID:	127314260
Reduced:	N2O3C15H28 (1)
Stoich.:	A2B3C15D28 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	4.88
IP(EA), eV:	-9.71(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1OCCNC(=O)NCC2(COC2)C

DOS

IR

Vibrations