Geometry & MOs

Info

ID:	435168
PubChem CID:	135182928
Reduced:	ClN5H8C12 (1)
Stoich.:	AB5C8D12 (1)
Weight, g/mol:	607.305959
ΔH_f, kcal/mol:	121.49
Dipole, Da:	5.22
IP(EA), eV:	-10.03(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-3-[2-methyl-3-[[3-(methylaminomethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C=NN=C2C3=NC=NC=C3)Cl

DOS

IR

Vibrations