Geometry & MOs

Info

ID:	321219
PubChem CID:	126665387
Reduced:	O2F3N6H17C18 (1)
Stoich.:	A2B3C6D17E18 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-133.79
Dipole, Da:	7.12
IP(EA), eV:	-9.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzylbenzene;urea

Drug info:

PubChemData

Smile

C1[C@@H](C[C@@H]([C@H]1NC2=NC=NC3=NNC(=C32)C(=O)NCC4=C(C=CC(=C4)F)F)O)F

DOS

IR

Vibrations