Geometry & MOs

Info

ID:	129062
PubChem CID:	51068451
Reduced:	ClFO2N3H23C26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	497.150619
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	4.07
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(furan-2-ylmethyl)-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2=CC=C(C=C2)F)C(=O)C)OC3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations