Geometry & MOs

Info

ID:	309829
PubChem CID:	126561215
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	512.178373
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	4.32
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-(1,1-difluoroprop-2-enyl)-5-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2CCN(CC2)C(=O)C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C(=O)N

DOS

IR

Vibrations