Geometry & MOs

Info

ID:	255125
PubChem CID:	103130152
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	282.07712
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	4.82
IP(EA), eV:	-9.28(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=NN(C=C2)C)O)F

DOS

IR

Vibrations