Geometry & MOs

Info

ID:	387731
PubChem CID:	134986624
Reduced:	O4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	254.153147
ΔH_f, kcal/mol:	-208.89
Dipole, Da:	1.38
IP(EA), eV:	-10.16(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-4-cyanoimino-2-ethyl-3-methylcyclohexa-2,5-dien-1-ylidene)cyanamide

Drug info:

PubChemData

Smile

CC[C@H](C1COC(OC1)C)C(=O)OCC

DOS

IR

Vibrations