Geometry & MOs

Info

ID:	196505
PubChem CID:	78838940
Reduced:	FON3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	4.84
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyano-4-fluorophenyl)-3-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)NC(=O)NC2=C(C=C(C=C2)F)C#N

DOS

IR

Vibrations