Geometry & MOs

Info

ID:	263283
PubChem CID:	103352217
Reduced:	OF2N2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	354.09429
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	3.86
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)C(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations