Geometry & MOs

Info

ID:	309075
PubChem CID:	126536260
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	7.47
IP(EA), eV:	-8.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[4-[5-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)amino]pyridin-2-yl]phenyl]ethoxy]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)NC2=CC=C(C=C2)C3=CC=C(C=C3)C4=C5CC(C5)(OC4)CC(=O)O

DOS

IR

Vibrations