Geometry & MOs

Info

ID:	185036
PubChem CID:	77243825
Reduced:	F3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	303.054132
ΔH_f, kcal/mol:	-260.62
Dipole, Da:	2.23
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]urea

Drug info:

PubChemData

Smile

COC(=O)C1=CC(C2=C3CCC(CC3CCC2=C1)(C(F)(F)F)O)CC4=CC=CC=C4

DOS

IR

Vibrations