Geometry & MOs

Info

ID:	441430
PubChem CID:	135234653
Reduced:	O2F3N4H23C26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	381.08004
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	2.7
IP(EA), eV:	-8.3(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CN1CCC2=C(C1C3=C(C=C(C=C3F)C4=NC=C(C=N4)C(=O)O)F)NC5=CC=CC=C25)F

DOS

IR

Vibrations