Geometry & MOs

Info

ID:	352072
PubChem CID:	127283140
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-144.46
Dipole, Da:	4.3
IP(EA), eV:	-8.99(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CN2CCC(CC2)NC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations