Geometry & MOs

Info

ID:	372560
PubChem CID:	131299722
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	3.25
IP(EA), eV:	-9.14(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)pyrrolidin-1-yl]-(4,5-dimethyl-1,3-oxazol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C2=C(C(=CC=C2)O)O

DOS

IR

Vibrations