Geometry & MOs

Info

ID:	185447
PubChem CID:	77301184
Reduced:	O2F3N9C30H34 (1)
Stoich.:	A2B3C9D30E34 (1)
Weight, g/mol:	399.143035
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	6.87
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenoxy)-5-(1-hydroxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NC4NNNN4)C(=NCN)NC5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations