Geometry & MOs

Info

ID:	34636
PubChem CID:	7978761
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	407.141197
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	4.52
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations