Geometry & MOs

Info

ID:	34644
PubChem CID:	7978770
Reduced:	ClN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	390.134635
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	3.85
IP(EA), eV:	-9.43(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations