Geometry & MOs

Info

ID:	56847
PubChem CID:	22394363
Reduced:	ClSF3N4O4C28H28 (1)
Stoich.:	ABC3D4E4F28G28 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-202.78
Dipole, Da:	5.59
IP(EA), eV:	-8.87(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(aminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)C(C(=O)C2=CC3=C(C=CC=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl)C(F)(F)F)(C(=O)O)N

DOS

IR

Vibrations