Geometry & MOs

Info

ID:	324517
PubChem CID:	126677802
Reduced:	I2N3O18C42H77 (1)
Stoich.:	A2B3C18D42E77 (1)
Weight, g/mol:	359.185844
ΔH_f, kcal/mol:	-846.24
Dipole, Da:	2.59
IP(EA), eV:	-9.64(-2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-benzylindazol-4-yl)methyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

Smile

CC(=O)N[C@@H]1[C@@H](OC([C@@H](C1O)O)CO)OCCCCCOCC(C)(COCCCCCO[C@H]2[C@H](C(CC(O2)CO)O)N)COCCCCCO[C@H]3[C@H](C([C@H](C(O3)CO)OI)I)NC(=O)C

DOS

IR

Vibrations