Geometry & MOs

Info

ID:	154732
PubChem CID:	56314247
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	456.196154
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	6.49
IP(EA), eV:	-8.82(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CC=CC=C2CNC(=O)C(C)C3=C(ON=C3C)C

DOS

IR

Vibrations