Geometry & MOs

Info

ID:	418365
PubChem CID:	135104338
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-39.98
Dipole, Da:	2.53
IP(EA), eV:	-8.19(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1=O)C(=O)CC2=CC3=C(C=C2)N(C4=CC=CC=C43)C

DOS

IR

Vibrations