Geometry & MOs

Info

ID:	166981
PubChem CID:	74761169
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-110.65
Dipole, Da:	4.15
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC

DOS

IR

Vibrations