Geometry & MOs

Info

ID:	157587
PubChem CID:	56435900
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-16.73
Dipole, Da:	6.72
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC(=NN3C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations