Geometry & MOs

Info

ID:	247641
PubChem CID:	103072521
Reduced:	ON2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-68.96
Dipole, Da:	3.74
IP(EA), eV:	-8.9(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(=O)N(CC1)CC(=C)CNC(C)C

DOS

IR

Vibrations