Geometry & MOs

Info

ID:	414672
PubChem CID:	135087631
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	6.23
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(2-methyl-4-phenylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1CN)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations