Geometry & MOs

Info

ID:	373146
PubChem CID:	131310697
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	172.100048
ΔH_f, kcal/mol:	-111.34
Dipole, Da:	5.0
IP(EA), eV:	-9.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-cyclobutylbenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1COC[C@@H]2N)S(=O)(=O)C

DOS

IR

Vibrations