Geometry & MOs

Info

ID:	368930
PubChem CID:	127330938
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-38.49
Dipole, Da:	2.39
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)(C)C

DOS

IR

Vibrations