Geometry & MOs

Info

ID:	299752
PubChem CID:	117689158
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	502.145696
ΔH_f, kcal/mol:	16.32
Dipole, Da:	3.74
IP(EA), eV:	-8.85(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[azido(cyclopropyl)methyl]-3-methylsulfonylbenzene

Drug info:

PubChemData

Smile

COC1=CN=C(C=C1)[C@H]2C[C@@H]2COC3=NC4=C(C=C3C5CCCNC5)N=CC=C4

DOS

IR

Vibrations