Geometry & MOs

Info

ID:	259618
PubChem CID:	103169484
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	252.163791
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	1.57
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethoxycyclobutyl)-1-(3-fluoropyridin-4-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCNC(CC1CC(C1)OCC)CC2=NC=C(C=C2)Br

DOS

IR

Vibrations