Geometry & MOs

Info

ID:	324289
PubChem CID:	126677332
Reduced:	N3O4C33H35 (1)
Stoich.:	A3B4C33D35 (1)
Weight, g/mol:	407.197569
ΔH_f, kcal/mol:	-77.6
Dipole, Da:	3.49
IP(EA), eV:	-9.47(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methoxyethanol

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)OC(C)(C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations