Geometry & MOs

Info

ID:	76219
PubChem CID:	48424611
Reduced:	FN2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	307.158372
ΔH_f, kcal/mol:	-181.38
Dipole, Da:	2.97
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCOC3=C2C=C(C=C3)F

DOS

IR

Vibrations