Geometry & MOs

Info

ID:	293274
PubChem CID:	117380758
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	11.45
IP(EA), eV:	-7.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(isocyanatomethyl)-3,4-dimethoxy-2-propan-2-yloxybenzene

Drug info:

PubChemData

Smile

CC\1=CC(=C(C(=O)/C1=C\2/C=C(N(N2)C)N)OC)F

DOS

IR

Vibrations