Geometry & MOs

Info

ID:	247640
PubChem CID:	103072515
Reduced:	O2F3N3C12H16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	-212.42
Dipole, Da:	1.23
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=C)CNC2CC2)C(F)(F)F

DOS

IR

Vibrations