Geometry & MOs

Info

ID:	196466
PubChem CID:	78835112
Reduced:	FO3N4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	333.123718
ΔH_f, kcal/mol:	-108.32
Dipole, Da:	2.29
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]urea

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)F)NC1=O)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations