Geometry & MOs

Info

ID:	275743
PubChem CID:	103817365
Reduced:	ClOSN3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	3.78
IP(EA), eV:	-8.47(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCSCCC(C)NC(=O)C1=CN=C(C=N1)Cl

DOS

IR

Vibrations