Geometry & MOs

Info

ID:	130329
PubChem CID:	51075618
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	5.52
IP(EA), eV:	-9.61(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)CCN2C=NC=N2

DOS

IR

Vibrations