Geometry & MOs

Info

ID:	143156
PubChem CID:	53155481
Reduced:	ClO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	410.114568
ΔH_f, kcal/mol:	-9.2
Dipole, Da:	9.72
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-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)NCC2=CC=CC=C2Cl)C)C3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations