Geometry & MOs

Info

ID:	80144
PubChem CID:	49833230
Reduced:	ClNO2H10C13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	596.264822
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	3.49
IP(EA), eV:	-8.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-[2-(2-benzyl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxy-N-methylanilino]ethanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C3=C(CCN2C(=O)OC4=CC=C(C=C4)Cl)C5=C(N3)C=CC(=C5)Cl

DOS

IR

Vibrations