Geometry & MOs

Info

ID:	225729
PubChem CID:	87225402
Reduced:	BrON9C13H16 (1)
Stoich.:	ABC9D13E16 (1)
Weight, g/mol:	130.09938
ΔH_f, kcal/mol:	87.74
Dipole, Da:	2.38
IP(EA), eV:	-9.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(oxiran-2-yl)butan-1-ol

Drug info:

PubChemData

Smile

CC(C)N1N=C(N=N1)CCNC(=O)NC2=CN3C(=N2)C=CC(=N3)Br

DOS

IR

Vibrations