Geometry & MOs

Info

ID:	406233
PubChem CID:	135076982
Reduced:	CrOC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	153.15175
ΔH_f, kcal/mol:	19.77
Dipole, Da:	1.89
IP(EA), eV:	-7.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyano-2,4,4-trimethylhexane

Drug info:

PubChemData

Smile

CC(C)OC(=[Cr])/C=C/C=C/C1=CC=CC=C1

DOS

IR

Vibrations