Geometry & MOs

Info

ID:	293797
PubChem CID:	117402118
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	5.56
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(1-isocyanatocyclopropyl)-2-methoxy-4-methylbenzene

Drug info:

PubChemData

Smile

C1CC(CNC1)CC2=CC3=C(C=C2)NC(=O)C(=O)N3

DOS

IR

Vibrations