Geometry & MOs

Info

ID:	139498
PubChem CID:	52542789
Reduced:	O2N3C27H39 (1)
Stoich.:	A2B3C27D39 (1)
Weight, g/mol:	272.109169
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	6.55
IP(EA), eV:	-8.62(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-fluorophenyl)-3-hexylurea

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(C)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations