Geometry & MOs

Info

ID:	355571
PubChem CID:	127289329
Reduced:	FON6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	13.37
Dipole, Da:	6.75
IP(EA), eV:	-8.95(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC(=CC4=NC=CN=C34)F

DOS

IR

Vibrations