Geometry & MOs

Info

ID:	138045
PubChem CID:	52303325
Reduced:	O2N7H16C21 (1)
Stoich.:	A2B7C16D21 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	136.45
Dipole, Da:	8.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809791
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-butoxy-N-(4-cyclopentyloxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=NN=N[N-]2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations