Geometry & MOs

Info

ID:	423427
PubChem CID:	135119489
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-160.43
Dipole, Da:	3.98
IP(EA), eV:	-9.14(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyrazin-2-ylethyl)butanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)NCC(=O)N1CCC[C@]2(C1)CCC[C@H]2O

DOS

IR

Vibrations