Geometry & MOs

Info

ID:	245922
PubChem CID:	103028440
Reduced:	NOSC13H23 (1)
Stoich.:	ABCD13E23 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	1.29
IP(EA), eV:	-8.91(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

CCNC(CC(C)(C)OC)C1=CC=C(S1)C

DOS

IR

Vibrations