Geometry & MOs

Info

ID:	9844
PubChem CID:	93865
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	2.29
IP(EA), eV:	-9.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [[cyano(phenyl)methylidene]amino] carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC=C1

DOS

IR

Vibrations