Geometry & MOs

Info

ID:	279908
PubChem CID:	103845605
Reduced:	NO3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	3.31
IP(EA), eV:	-8.17(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC(=C(C=C1)OC)OCC)CO

DOS

IR

Vibrations