Geometry & MOs

Info

ID:	287664
PubChem CID:	104251080
Reduced:	ON2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	345.14158
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	2.58
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,5-diethylpyrazol-3-yl)-N-ethyl-4-methoxypentan-2-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CC(CC(C)OC)NCC

DOS

IR

Vibrations