Geometry & MOs

Info

ID:	319981
PubChem CID:	126657725
Reduced:	N2O2H56C79 (1)
Stoich.:	A2B2C56D79 (1)
Weight, g/mol:	183.1987
ΔH_f, kcal/mol:	248.27
Dipole, Da:	1.25
IP(EA), eV:	-7.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-ylazecane

Drug info:

Smile

C/C=C\C1=C(C(C2=C1C=CC(=C2)N(C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC8=C(C=C7)C9=CC=CC=C9C8(C)C)C1=CC=CC2=C1OC1=C2C2=CC=CC=C2C=C1)C=C3)C1=CC=CC2=C1OC1=C2C2=CC=CC=C2C=C1)(C)C)C=C

DOS

IR

Vibrations