Geometry & MOs

Info

ID:	255924
PubChem CID:	103135695
Reduced:	BrN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	85.1
Dipole, Da:	5.14
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(5-methyloxolan-2-yl)methoxy]propan-2-amine

Drug info:

PubChemData

Smile

CNC(C1=CC2=C(C=C1)C=C(C=C2)Br)C3=NN(C=C3)C

DOS

IR

Vibrations