Geometry & MOs

Info

ID:	189392
PubChem CID:	77849396
Reduced:	SN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	11.16
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzoxazol-2-yl)-4-propylpyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=CCN1CCN(C2C1CS(=O)(=O)C2)C(=O)CC3=CC=CC=C3O)C

DOS

IR

Vibrations