Geometry & MOs

Info

ID:	323745
PubChem CID:	126675972
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	438.202891
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	6.54
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[4-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C)N2C=C(C=C(C2=O)C(=O)NC)C

DOS

IR

Vibrations