Geometry & MOs

Info

ID:	73051
PubChem CID:	48416883
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	324.097088
ΔH_f, kcal/mol:	30.71
Dipole, Da:	4.25
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations