Geometry & MOs

Info

ID:	130076
PubChem CID:	51074846
Reduced:	FN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	338.154289
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	3.83
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC=C1F)N2CCC(CC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations