Geometry & MOs

Info

ID:	421439
PubChem CID:	135116016
Reduced:	O6N7C28H35 (1)
Stoich.:	A6B7C28D35 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-86.42
Dipole, Da:	4.45
IP(EA), eV:	-8.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,5-trimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)CCC4=NNC(=O)C=C4

DOS

IR

Vibrations