Geometry & MOs

Info

ID:	372094
PubChem CID:	131293151
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	159.079647
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	2.59
IP(EA), eV:	-8.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-cyclopropylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1COC[C@@H](N1)C2=C(C=CC(=C2O)C#N)Br

DOS

IR

Vibrations