Geometry & MOs

Info

ID:	449285
PubChem CID:	135297392
Reduced:	F2O2N4C27H30 (1)
Stoich.:	A2B2C4D27E30 (1)
Weight, g/mol:	383.180919
ΔH_f, kcal/mol:	-105.12
Dipole, Da:	3.42
IP(EA), eV:	-9.81(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,4E)-1-amino-5-[(7R)-3-(2,6-difluorophenyl)-5,6,6,7-tetramethyl-5H-cyclopenta[c]pyridazin-7-yl]penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CCC1C2=CC(=NN=C2[C@](C1(C)C)(C)C3=CC=CC(=N3)C(=O)NC[C@H](C)O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations