Geometry & MOs

Info

ID:	433944
PubChem CID:	135174091
Reduced:	NC9H11 (1)
Stoich.:	AB9C11 (1)
Weight, g/mol:	643.30933
ΔH_f, kcal/mol:	80.43
Dipole, Da:	1.9
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C=C/C=C\N=C(C=C)C=C

DOS

IR

Vibrations