Geometry & MOs

Info

ID:	222343
PubChem CID:	85297075
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	390.15897
ΔH_f, kcal/mol:	-4.84
Dipole, Da:	4.67
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-[tert-butyl(dimethyl)silyl]oxydodec-1-yn-4-ol

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(CC3C(C2C4=CC=CC=C4)NC5=C3C=C(C=C5)[N+](=O)[O-])CO1

DOS

IR

Vibrations