Geometry & MOs

Info

ID:	317432
PubChem CID:	126637623
Reduced:	NC18H25 (1)
Stoich.:	AB18C25 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	11.71
Dipole, Da:	3.79
IP(EA), eV:	-9.15(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3aS,4R,6S,6aR)-2,2-dimethyl-6-(quinolin-7-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1(CC2=C(C=CN=C2)/C(=C/C/C=C/C)/C1)C

DOS

IR

Vibrations