Geometry & MOs

Info

ID:	394093
PubChem CID:	135022315
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	4.42
IP(EA), eV:	-8.78(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,5R)-5-(benzylamino)-3-hydroxyazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2CC(C1)ON2CC3=CC=CC=C3

DOS

IR

Vibrations