Geometry & MOs

Info

ID:	187528
PubChem CID:	77585105
Reduced:	O3N4C29H42 (1)
Stoich.:	A3B4C29D42 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-112.26
Dipole, Da:	6.81
IP(EA), eV:	-8.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indazol-5-yl)-N-[1-(4-methylphenyl)ethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

COCC1(CCCCC1N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNCC4CC5CCCCC5)O

DOS

IR

Vibrations