Geometry & MOs

Info

ID:	256474
PubChem CID:	103139471
Reduced:	NSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-3.21
Dipole, Da:	4.14
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

COC1=CSC(=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations