Geometry & MOs

Info

ID:	433956
PubChem CID:	135174103
Reduced:	BrON2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	544.258674
ΔH_f, kcal/mol:	35.14
Dipole, Da:	3.95
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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]oxazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1C(CN1)CNCCCOC2=C(C=CC(=C2)/C=C/C3=CC=CC=C3)Br

DOS

IR

Vibrations