Geometry & MOs

Info

ID:	324075
PubChem CID:	126676882
Reduced:	N7H21C27 (1)
Stoich.:	A7B21C27 (1)
Weight, g/mol:	396.181093
ΔH_f, kcal/mol:	154.83
Dipole, Da:	3.3
IP(EA), eV:	-8.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[2-[4-(pyridin-4-ylamino)phenyl]-3H-benzimidazol-5-yl]-1,4-dihydropyrimidine-2,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)NC6=CC(=NC=C6)N

DOS

IR

Vibrations