Geometry & MOs

Info

ID:	71012
PubChem CID:	48414177
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	10.05
Dipole, Da:	4.56
IP(EA), eV:	-9.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations