Geometry & MOs

Info

ID:	228374
PubChem CID:	87564128
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	356.05243
ΔH_f, kcal/mol:	-149.76
Dipole, Da:	3.38
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(6-bromopyridin-3-yl)ethynyl]phenyl]methyl]morpholine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC[C@@H](C1=CC=CC=C1)C(=O)N(C)OC

DOS

IR

Vibrations