Geometry & MOs

Info

ID:	344057
PubChem CID:	127267233
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	5.45
IP(EA), eV:	-9.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(CO)C(C2=CC=CC=C2)NC(=O)NC3=NC=NC=C3

DOS

IR

Vibrations