Geometry & MOs

Info

ID:	319451
PubChem CID:	126656071
Reduced:	ON5H39C57 (1)
Stoich.:	AB5C39D57 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	269.96
Dipole, Da:	3.61
IP(EA), eV:	-7.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-chlorooxynaphthalen-1-yl)carbamate

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(N2C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C(=CC8=C3OC9C8C=CC=C9)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations