Geometry & MOs

Info

ID:	326603
PubChem CID:	126687867
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	371.145676
ΔH_f, kcal/mol:	-11.21
Dipole, Da:	1.11
IP(EA), eV:	-9.77(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C=CCOC[C@@H](COCC#C)OCC#C

DOS

IR

Vibrations