Geometry & MOs

Info

ID:	352056
PubChem CID:	127283124
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	3.35
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-3-[(1-hydroxycyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC(=C2)CNC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations