Geometry & MOs

Info

ID:	263284
PubChem CID:	103352235
Reduced:	BrN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	314.095269
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	4.68
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3,4-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)C(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations