Geometry & MOs

Info

ID:	82520
PubChem CID:	49856131
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	552.248504
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	3.91
IP(EA), eV:	-8.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzofuran-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)[C@@H](C)COCC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations