Geometry & MOs

Info

ID:	353338
PubChem CID:	127284667
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-159.33
Dipole, Da:	2.81
IP(EA), eV:	-9.18(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN1C(=O)CCN2CCCS2(=O)=O

DOS

IR

Vibrations