Geometry & MOs

Info

ID:	89590
PubChem CID:	49962924
Reduced:	BrO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	5.65
IP(EA), eV:	-8.76(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2,4-dimethoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(C2=CC(=C(C=C2OC)OC)Br)O)C

DOS

IR

Vibrations