Geometry & MOs

Info

ID:	391337
PubChem CID:	135004376
Reduced:	NC24H25 (1)
Stoich.:	AB24C25 (1)
Weight, g/mol:	233.084064
ΔH_f, kcal/mol:	65.06
Dipole, Da:	1.91
IP(EA), eV:	-9.16(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyanato-4-methyl-2-(2-phenylethynyl)benzene

Drug info:

PubChemData

Smile

CCC1(CC(CN1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations