Geometry & MOs

Info

ID:	446246
PubChem CID:	135273464
Reduced:	O2N3C14H19 (2)
Stoich.:	A2B3C14D19 (2)
Weight, g/mol:	410.11787
ΔH_f, kcal/mol:	-103.17
Dipole, Da:	5.19
IP(EA), eV:	-8.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6R)-10-azido-6-(1,3-dioxolan-2-yl)-1-iodo-4-methyldecan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)NC3=CC(=NC(=N3)OC)N4CC5CC(C4)O5)C=N

DOS

IR

Vibrations