Geometry & MOs

Info

ID:	163824
PubChem CID:	74380510
Reduced:	ClON7C29H30 (1)
Stoich.:	ABC7D29E30 (1)
Weight, g/mol:	472.161244
ΔH_f, kcal/mol:	102.44
Dipole, Da:	10.94
IP(EA), eV:	-9.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-chloro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(C2CCN(CC2)C3CC3)O)NC4=NC=C(C(=N4)C5=CN=C6N5C=CC=C6Cl)C#N

DOS

IR

Vibrations