Geometry & MOs

Info

ID:	323938
PubChem CID:	126676642
Reduced:	N3H10C12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	421.201494
ΔH_f, kcal/mol:	133.04
Dipole, Da:	5.56
IP(EA), eV:	-8.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-[4-(cyclohepta-1,3,5-trien-1-ylamino)phenyl]-3H-benzimidazol-5-yl]-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC5=CC=CC=N5

DOS

IR

Vibrations