Geometry & MOs

Info

ID:	255187
PubChem CID:	103130573
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	282.07712
ΔH_f, kcal/mol:	41.0
Dipole, Da:	4.47
IP(EA), eV:	-9.16(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4,5-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C(C2=CC=CC=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations