Geometry & MOs

Info

ID:	410777
PubChem CID:	135083578
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-89.01
Dipole, Da:	3.62
IP(EA), eV:	-9.04(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-isocyanato-2-methylidenepentyl)benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations