Geometry & MOs

Info

ID:	130198
PubChem CID:	51075231
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-31.9
Dipole, Da:	2.58
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)N1CCN(CC1)C2=NC=CS2

DOS

IR

Vibrations