Geometry & MOs

Info

ID:	398513
PubChem CID:	135033606
Reduced:	NO2C27H35 (1)
Stoich.:	AB2C27D35 (1)
Weight, g/mol:	565.294182
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	2.52
IP(EA), eV:	-8.6(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-phenyl-2-tributylstannylazepane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@H]3CCC=CC[C@H]3C(=O)OC(C)(C)C

DOS

IR

Vibrations