Geometry & MOs

Info

ID:	286157
PubChem CID:	104157398
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	297.113171
ΔH_f, kcal/mol:	7.58
Dipole, Da:	5.36
IP(EA), eV:	-9.28(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-ylmethyl 2-chloro-6-propan-2-ylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CNC)OCC2=CC(=CC=C2)Br

DOS

IR

Vibrations