Geometry & MOs

Info

ID:	67723
PubChem CID:	46507035
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	102.19
Dipole, Da:	7.51
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CN(C=N3)CC4=CC=C(C=C4)N

DOS

IR

Vibrations