Geometry & MOs

Info

ID:	356829
PubChem CID:	127292369
Reduced:	FO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	364.216221
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	2.77
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-(oxan-2-ylmethyl)-1-propylurea

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CCCOC4=C3C=C(C=C4)F

DOS

IR

Vibrations