Geometry & MOs

Info

ID:	268436
PubChem CID:	103599351
Reduced:	ClO2N4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	1.41
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)NC(C)(CC(C)C)C(=O)N

DOS

IR

Vibrations