Geometry & MOs

Info

ID:	413834
PubChem CID:	135086784
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	5.78
IP(EA), eV:	-9.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-3-benzylidene-2-oxoazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations