Geometry & MOs

Info

ID:	407918
PubChem CID:	135080673
Reduced:	N3O5C6H11 (1)
Stoich.:	A3B5C6D11 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-155.04
Dipole, Da:	2.53
IP(EA), eV:	-10.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-(2-oxo-2-pyrrol-1-ylethyl)butanenitrile

Drug info:

PubChemData

Smile

C1[C@@H](C(C([C@](O1)(CO)O)O)O)N=[N+]=[N-]

DOS

IR

Vibrations