Geometry & MOs

Info

ID:	441431
PubChem CID:	135234659
Reduced:	BrO2N5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	457.191403
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	2.12
IP(EA), eV:	-8.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)Br

DOS

IR

Vibrations