Geometry & MOs

Info

ID:	396169
PubChem CID:	135027564
Reduced:	N4O6C19H24 (1)
Stoich.:	A4B6C19D24 (1)
Weight, g/mol:	123.97982
ΔH_f, kcal/mol:	-196.71
Dipole, Da:	6.03
IP(EA), eV:	-10.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo(1,3-13C2)propane

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C(O1)C([C@H](O2)[C@@H](C(=O)NCC3=CN(N=N3)CC4=CC=CC=C4)O)O)C

DOS

IR

Vibrations