Geometry & MOs

Info

ID:	370125
PubChem CID:	127337496
Reduced:	FO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	304.158706
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	6.17
IP(EA), eV:	-8.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCCOC4=C3C=C(C=C4)F

DOS

IR

Vibrations