Geometry & MOs

Info

ID:	143155
PubChem CID:	53155472
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	410.114568
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	3.66
IP(EA), eV:	-8.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(=O)NC2=CC=C(C=C2)OC)C)C3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations