Geometry & MOs

Info

ID:	247475
PubChem CID:	103071735
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	4.39
IP(EA), eV:	-9.07(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one

Drug info:

PubChemData

Smile

CNCC(=C)CN1CCCCCC1=O

DOS

IR

Vibrations