Geometry & MOs

Info

ID:	247477
PubChem CID:	103071738
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	3.52
IP(EA), eV:	-8.65(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1CCCCCC1=O

DOS

IR

Vibrations