Geometry & MOs

Info

ID:	413809
PubChem CID:	135086759
Reduced:	SiN2O3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765066
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(Z)-(2-chloro-1-naphthalen-2-ylethylidene)amino]carbamate

Drug info:

PubChemData

Smile

C/C=C(/C(=C(\O)/OCC1=CC=CC=C1)/[N+]#N)\O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations