Geometry & MOs

Info

ID:	247657
PubChem CID:	103072592
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-55.19
Dipole, Da:	3.44
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]-5,5-dimethylazepan-2-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C(=O)C2CC2C1=O

DOS

IR

Vibrations