Geometry & MOs

Info

ID:	269333
PubChem CID:	103617019
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	298.038816
ΔH_f, kcal/mol:	9.56
Dipole, Da:	3.35
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNCCC2=CC=CC=C2OC

DOS

IR

Vibrations