Geometry & MOs

Info

ID:	323936
PubChem CID:	126676640
Reduced:	N7H21C24 (1)
Stoich.:	A7B21C24 (1)
Weight, g/mol:	408.181093
ΔH_f, kcal/mol:	126.03
Dipole, Da:	5.4
IP(EA), eV:	-8.16(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-[4-[(2-methylpyridin-4-yl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC5=CC=NC=C5)N

DOS

IR

Vibrations