Geometry & MOs

Info

ID:	330736
PubChem CID:	127248143
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-1.06
Dipole, Da:	6.69
IP(EA), eV:	-9.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)C2=CC=NN2)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations