Geometry & MOs

Info

ID:	121759
PubChem CID:	50780450
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-11.64
Dipole, Da:	2.28
IP(EA), eV:	-8.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations