Geometry & MOs

Info

ID:	343435
PubChem CID:	127266608
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	249.116507
ΔH_f, kcal/mol:	-38.67
Dipole, Da:	3.17
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CNC(=O)N3C

DOS

IR

Vibrations