Geometry & MOs

Info

ID:	76748
PubChem CID:	48425324
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	344.08479
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	3.55
IP(EA), eV:	-9.12(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C)N1C(=CC(=N1)C)C

DOS

IR

Vibrations