Geometry & MOs

Info

ID:	140517
PubChem CID:	52714451
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	334.164105
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	4.83
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrazol-3-yl)-3-[(2,3,4-trimethoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CNC(=O)N(CC=C)CC2=CC=CS2

DOS

IR

Vibrations