Geometry & MOs

Info

ID:	255747
PubChem CID:	103134472
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	223.204848
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	4.69
IP(EA), eV:	-9.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=CC=C2C=O

DOS

IR

Vibrations