Geometry & MOs

Info

ID:	255708
PubChem CID:	103134155
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-73.78
Dipole, Da:	6.16
IP(EA), eV:	-8.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-[(5-methyloxolan-2-yl)methyl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C=C(C2=O)Br)N

DOS

IR

Vibrations