Geometry & MOs

Info

ID:	355963
PubChem CID:	127290953
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-32.77
Dipole, Da:	3.61
IP(EA), eV:	-9.09(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(C2)NC(=O)N3CCOC(C3)C#N

DOS

IR

Vibrations