Geometry & MOs

Info

ID:	264205
PubChem CID:	103440978
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	4.18
IP(EA), eV:	-9.22(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]pent-4-en-1-one

Drug info:

PubChemData

Smile

CC1CCN(C(C1)CN)C(=O)C2=CC(=CC(=C2)C)C

DOS

IR

Vibrations