Geometry & MOs

Info

ID:	247643
PubChem CID:	103072539
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	266.235814
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	3.96
IP(EA), eV:	-9.07(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1-[2-(ethylaminomethyl)prop-2-enyl]azepan-2-one

Drug info:

PubChemData

Smile

CC(C)C1CCC(=O)N(CC1)CC(=C)CNC2CC2

DOS

IR

Vibrations