Geometry & MOs

Info

ID:	224307
PubChem CID:	85341234
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	8.01
IP(EA), eV:	-9.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-benzamidohexanoate

Drug info:

PubChemData

Smile

CC(C)C1C2C3CCC(C3(C(=O)C1OC2=O)C)CN=[N+]=[N-]

DOS

IR

Vibrations