Geometry & MOs

Info

ID:	315763
PubChem CID:	126628687
Reduced:	SO3N5C29H29 (1)
Stoich.:	AB3C5D29E29 (1)
Weight, g/mol:	396.019911
ΔH_f, kcal/mol:	-7.46
Dipole, Da:	6.11
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-(2,4-dichlorophenoxy)phenyl]-1-pyrazol-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2C(=NC3=C(C2=O)C=CN=C3C4=CSC(=N4)NCCO)CCC5=CC=CC=C5

DOS

IR

Vibrations