Geometry & MOs

Info

ID:	286976
PubChem CID:	104231655
Reduced:	NSO2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	4.22
IP(EA), eV:	-8.29(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-6-pyrazol-1-ylphenyl)ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N(C)C(C)CSC)O

DOS

IR

Vibrations