Geometry & MOs

Info

ID:	247476
PubChem CID:	103071737
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	3.42
IP(EA), eV:	-8.76(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1CCCCCC1=O

DOS

IR

Vibrations