Geometry & MOs

Info

ID:

173771

PubChem CID:

75680036

Reduced:

ON5C12H17 (1)

Stoich.:

AB5C12D17 (1)

Weight, g/mol:

262.142976

ΔHf, kcal/mol:

10.34

Dipole, Da:

2.95

IP(EA), eV:

-9.35(0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CC(C)C(=O)NCC2=NC=CN2

DOS

IR

Vibrations