Geometry & MOs

Info

ID:	350216
PubChem CID:	127277294
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-203.16
Dipole, Da:	2.31
IP(EA), eV:	-9.42(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)NCC2COCCO2)O

DOS

IR

Vibrations