Geometry & MOs

Info

ID:	413695
PubChem CID:	135086644
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	143.073499
ΔH_f, kcal/mol:	14.41
Dipole, Da:	5.2
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isocyanoprop-1-en-2-ylbenzene

Drug info:

PubChemData

Smile

CC(=O)ON=C(CCC1=CNC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations