Geometry & MOs

Info

ID:	147649
PubChem CID:	53787306
Reduced:	O2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	442.170414
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	4.12
IP(EA), eV:	-9.33(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[2-(3,4-difluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]-5-hydroxy-3-oxohept-6-enoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H](CC1=CN=CN1)N

DOS

IR

Vibrations