Geometry & MOs

Info

ID:	157585
PubChem CID:	56435883
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-26.45
Dipole, Da:	8.43
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CNC2=CC=CC=C2[N+](=O)[O-])C(C)(C)C

DOS

IR

Vibrations