Geometry & MOs

Info

ID:	145547
PubChem CID:	53543170
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	335.14339
ΔH_f, kcal/mol:	14.02
Dipole, Da:	6.87
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)-pyridin-3-ylmethyl]-1-methyl-3-phenylurea

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)C=CC(=C2)C(=O)N3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations