Geometry & MOs

Info

ID:	305926
PubChem CID:	124974738
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-82.71
Dipole, Da:	10.11
IP(EA), eV:	-9.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[4-(dimethylamino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)[C@H]2COCCN2C(=O)C3=CSC(=C3)C(C)C

DOS

IR

Vibrations