Geometry & MOs

Info

ID:	446261
PubChem CID:	135273620
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	471.05726
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	2.11
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1-iodophosphanyl-5-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=CCN(CC3)C(=O)OC(C)(C)C)N(N=C2)C4CCCCO4

DOS

IR

Vibrations