Geometry & MOs

Info

ID:	334636
PubChem CID:	127253311
Reduced:	N2O5H20C28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	413.158685
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	6.91
IP(EA), eV:	-9.04(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC(=CC=C2)N3C4=C(C5=CC=CC=C5C3=O)C(=O)C6=CC=CC=C64)C(=O)O

DOS

IR

Vibrations