Geometry & MOs

Info

ID:	443195
PubChem CID:	135258075
Reduced:	ClON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	502.194023
ΔH_f, kcal/mol:	84.32
Dipole, Da:	3.92
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-ethoxycyclobutyl)-3-[(1Z)-1-(1,1,1-trifluoropropan-2-ylideneamino)buta-1,3-dienyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C3=NN=C(C(=C23)Cl)C4=CC=CC=C4)C5CCOC5

DOS

IR

Vibrations