Geometry & MOs

Info

ID:	51217
PubChem CID:	12013857
Reduced:	BrNO3C20H24 (2)
Stoich.:	ABC3D20E24 (2)
Weight, g/mol:	130.09938
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	3.46
IP(EA), eV:	-8.48(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2S)-oxiran-2-yl]pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OC)CC4=CC(=CC(=C4OC)CC5=C(C(=CC(=C5)Br)C2)OC)N(C(C)(C)C)O)Br)OC)O

DOS

IR

Vibrations