Geometry & MOs

Info

ID:	245933
PubChem CID:	103029779
Reduced:	SN3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	24.59
Dipole, Da:	3.54
IP(EA), eV:	-8.59(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylfuran-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CNC(CCC1=CN(N=C1)C)CCSC

DOS

IR

Vibrations