Geometry & MOs

Info

ID:	283535
PubChem CID:	103987419
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-39.02
Dipole, Da:	3.73
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CCOC1)CC2=CC=CS2

DOS

IR

Vibrations