Geometry & MOs

Info

ID:	298777
PubChem CID:	117656537
Reduced:	O3N8C28H30 (1)
Stoich.:	A3B8C28D30 (1)
Weight, g/mol:	485.217538
ΔH_f, kcal/mol:	-3.94
Dipole, Da:	7.65
IP(EA), eV:	-8.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[4-[4-(oxolan-3-yloxy)pyridin-2-yl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCOC2=CC(=NC=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=C5)C(=O)N6CCNCC6

DOS

IR

Vibrations