Geometry & MOs

Info

ID:	311724
PubChem CID:	126597479
Reduced:	FSO4N6C22H25 (1)
Stoich.:	ABC4D6E22F25 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-116.52
Dipole, Da:	7.81
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-amino-2-cyclopropylacetyl]piperidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)F)CCCS(=O)(=O)C

DOS

IR

Vibrations