Geometry & MOs

Info

ID:	441447
PubChem CID:	135234697
Reduced:	O3N5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	470.206639
ΔH_f, kcal/mol:	1.06
Dipole, Da:	3.49
IP(EA), eV:	-8.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]pyridin-3-yl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC/C=C/C(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations