Geometry & MOs

Info

ID:	292930
PubChem CID:	117365389
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	3.27
IP(EA), eV:	-8.99(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-(1-isocyanatocyclopropyl)-4-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2(CCC2)N=C=O)C(C)C)O

DOS

IR

Vibrations