Geometry & MOs

Info

ID:	446631
PubChem CID:	135276524
Reduced:	ClO2N6C27H35 (1)
Stoich.:	AB2C6D27E35 (1)
Weight, g/mol:	423.111851
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	2.9
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-difluoro-4-[[2-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazo[4,5-b]pyrazin-3-yl]methyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CC(C2)CC(C)O)N3C4=CC(=C(C=C4C=N3)Cl)C5CCN(CC5)C6CCOC6

DOS

IR

Vibrations