Geometry & MOs

Info

ID:	433591
PubChem CID:	135173731
Reduced:	BrON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	532.240916
ΔH_f, kcal/mol:	24.18
Dipole, Da:	3.34
IP(EA), eV:	-8.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-methylphenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CCCC1=C(C=CC=C1Br)NC2=NC=CC3=CC(=CN=C32)CNCCO

DOS

IR

Vibrations