Geometry & MOs

Info

ID:	447710
PubChem CID:	135284967
Reduced:	O3N7C27H29 (1)
Stoich.:	A3B7C27D29 (1)
Weight, g/mol:	580.254652
ΔH_f, kcal/mol:	4.55
Dipole, Da:	8.5
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-formyl-8-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]naphthalen-2-yl]-N-(furan-2-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C3=C(C=CC=C3OC[C@H]4CCCN4C5=NC=NC6=C5NC=N6)C=C2)C=O

DOS

IR

Vibrations