Geometry & MOs

Info

ID:	283143
PubChem CID:	103960245
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	3.76
IP(EA), eV:	-8.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(4-methylpyrazol-1-yl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1N2CC(C(C2)C)C)O

DOS

IR

Vibrations