Geometry & MOs

Info

ID:	310152
PubChem CID:	126575660
Reduced:	NC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	71.39
Dipole, Da:	1.33
IP(EA), eV:	-9.04(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxyphenyl] cyanate

Drug info:

PubChemData

Smile

CC(C1CC1)NC2C3C2C3

DOS

IR

Vibrations