Geometry & MOs

Info

ID:	358214
PubChem CID:	127295759
Reduced:	N3O3C22H39 (1)
Stoich.:	A3B3C22D39 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-181.89
Dipole, Da:	4.97
IP(EA), eV:	-9.24(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1OCCNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations