Geometry & MOs

Info

ID:	49477
PubChem CID:	11533082
Reduced:	O4N5C26H33 (1)
Stoich.:	A4B5C26D33 (1)
Weight, g/mol:	479.264488
ΔH_f, kcal/mol:	-112.61
Dipole, Da:	4.14
IP(EA), eV:	-8.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethyl-1H-indol-5-yl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=CCN1C2=C(N=C1OC[C@H]3CCCC[C@H]3N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

DOS

IR

Vibrations