Geometry & MOs

Info

ID:	368785
PubChem CID:	127330112
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	323.153286
ΔH_f, kcal/mol:	-137.1
Dipole, Da:	1.05
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(oxolan-3-ylmethoxy)acetamide

Drug info:

PubChemData

Smile

C1COCC1COCC(=O)NC2=C(N=CC=C2)N3CCOCC3

DOS

IR

Vibrations