Geometry & MOs

Info

ID:	449143
PubChem CID:	135296333
Reduced:	FON7H30C32 (1)
Stoich.:	ABC7D30E32 (1)
Weight, g/mol:	292.122321
ΔH_f, kcal/mol:	84.56
Dipole, Da:	1.4
IP(EA), eV:	-8.29(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorophenyl] formate

Drug info:

PubChemData

Smile

CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)NCCN(C)C

DOS

IR

Vibrations