Geometry & MOs

Info

ID:	282605
PubChem CID:	103932641
Reduced:	N4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	325.05899
ΔH_f, kcal/mol:	3.72
Dipole, Da:	3.39
IP(EA), eV:	-8.05(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCC1=NN(C=C1NC2CCN(CC2)CC(C)C)C

DOS

IR

Vibrations