Geometry & MOs

Info

ID:	387327
PubChem CID:	134984941
Reduced:	O2N8C9H14 (1)
Stoich.:	A2B8C9D14 (1)
Weight, g/mol:	263.236148
ΔH_f, kcal/mol:	69.98
Dipole, Da:	10.97
IP(EA), eV:	-9.46(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2-[(E,3S)-3-azidohex-1-enyl]-4-methyl-1-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

CCN(CCO)NNC1=NC2=NC(=O)N=C(C2=N1)N

DOS

IR

Vibrations