Geometry & MOs

Info

ID:	344055
PubChem CID:	127267231
Reduced:	FO2N6C13H15 (1)
Stoich.:	AB2C6D13E15 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	5.46
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(hydroxymethyl)cyclobutyl]-phenylmethyl]-3-(2-methylpyrimidin-5-yl)urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=NC=C(C=C2)F)C3=NC(=O)NN3

DOS

IR

Vibrations