Geometry & MOs

Info

ID:	368976
PubChem CID:	127331055
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	3.13
IP(EA), eV:	-8.59(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NC3CCC4CCCCC4C3

DOS

IR

Vibrations