Geometry & MOs

Info

ID:	125182
PubChem CID:	50913553
Reduced:	SO4N6C26H26 (1)
Stoich.:	AB4C6D26E26 (1)
Weight, g/mol:	460.177837
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	6.71
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-N,4-N-dimethyl-7-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)OC3CCN(C3=O)C)OC4=CC=C(C=C4)C5=NC(=NN5C)C

DOS

IR

Vibrations