Geometry & MOs

Info

ID:	425126
PubChem CID:	135125254
Reduced:	FN5O7C32H32 (1)
Stoich.:	AB5C7D32E32 (1)
Weight, g/mol:	213.9967
ΔH_f, kcal/mol:	-186.22
Dipole, Da:	5.93
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodobutane-1,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@]4([C@@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)F)O)CCN=[N+]=[N-]

DOS

IR

Vibrations