Geometry & MOs

Info

ID:	322347
PubChem CID:	126669869
Reduced:	N3O7C29H47 (1)
Stoich.:	A3B7C29D47 (1)
Weight, g/mol:	222.92426
ΔH_f, kcal/mol:	-259.35
Dipole, Da:	3.9
IP(EA), eV:	-9.15(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-1,2,4-triazole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCC(=O)NCCN5CCOCC5)OC)C

DOS

IR

Vibrations