Geometry & MOs

Info

ID:	178154
PubChem CID:	76286223
Reduced:	BrON7H18C19 (1)
Stoich.:	ABC7D18E19 (1)
Weight, g/mol:	439.07562
ΔH_f, kcal/mol:	77.16
Dipole, Da:	3.15
IP(EA), eV:	-8.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3H-benzimidazol-5-ylamino)-5-bromopyrimidin-4-yl]amino]-1-propan-2-ylpyridin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC=C(C1=O)NC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations