Geometry & MOs

Info

ID:	69669
PubChem CID:	47205142
Reduced:	FON4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	-37.3
Dipole, Da:	4.85
IP(EA), eV:	-9.59(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-(1H-pyrazol-5-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)NCC2=CC=NN2)F

DOS

IR

Vibrations