Geometry & MOs

Info

ID:	317972
PubChem CID:	126648096
Reduced:	NC15H27 (1)
Stoich.:	AB15C27 (1)
Weight, g/mol:	475.240582
ΔH_f, kcal/mol:	6.12
Dipole, Da:	2.42
IP(EA), eV:	-8.02(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[7-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]pyrrolo[2,3-d]pyrimidin-4-yl]pyridin-2-yl]-1,3-dihydroinden-2-yl]methanamine

Drug info:

PubChemData

Smile

C/C(=C(/C(C)(C)C)\NC1=CCC1)/C(C)(C)C

DOS

IR

Vibrations