Geometry & MOs

Info

ID:	73341
PubChem CID:	48417476
Reduced:	O2N6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	4.87
Dipole, Da:	4.51
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations