Geometry & MOs

Info

ID:	441448
PubChem CID:	135234700
Reduced:	O3N6C26H26 (1)
Stoich.:	A3B6C26D26 (1)
Weight, g/mol:	536.289974
ΔH_f, kcal/mol:	13.77
Dipole, Da:	3.46
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2=NC=C(C=C2)C3=C4C(=NC=CN4C(=N3)[C@@H]5CCCN5C(=O)C=C)N

DOS

IR

Vibrations