Geometry & MOs

Info

ID:	61221
PubChem CID:	26707222
Reduced:	ClO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	436.166604
ΔH_f, kcal/mol:	24.22
Dipole, Da:	6.3
IP(EA), eV:	-9.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzylpyrazol-4-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations