Geometry & MOs

Info

ID:	379172
PubChem CID:	134356446
Reduced:	N2F3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	439.212058
ΔH_f, kcal/mol:	-252.2
Dipole, Da:	2.38
IP(EA), eV:	-9.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-6-[[8-[(2S)-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCF)C(=O)NC(CCCCN)C(=O)COC2=C(C=CC=C2F)F

DOS

IR

Vibrations