Geometry & MOs

Info

ID:	44144
PubChem CID:	10501162
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	400.222529
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	2.39
IP(EA), eV:	-8.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-dodec-11-en-2-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2CCNC3(CC4=CC=C(C5=CC=CC=C45)OC)C(=O)O

DOS

IR

Vibrations