Geometry & MOs

Info

ID:	128146
PubChem CID:	51032587
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	5.69
IP(EA), eV:	-9.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-[(1-oxo-3,4-dihydroisoquinoline-2-carbonyl)amino]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C=CCCOC1=CC=CC=C1C(=O)NCC=C

DOS

IR

Vibrations