Geometry & MOs

Info

ID:	173578
PubChem CID:	75656692
Reduced:	NO4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	402.170333
ΔH_f, kcal/mol:	-122.61
Dipole, Da:	13.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790794
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3-[(4-methylphenyl)methyl]urea

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(CC4=CC=C(C=C4)O)C(=O)[O-]

DOS

IR

Vibrations