Geometry & MOs

Info

ID:	188122
PubChem CID:	77669064
Reduced:	N4O5C26H32 (1)
Stoich.:	A4B5C26D32 (1)
Weight, g/mol:	338.124212
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	9.33
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl]methyl 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations