Geometry & MOs

Info

ID:	38330
PubChem CID:	8030614
Reduced:	NO4H19C23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	314.198085
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	6.16
IP(EA), eV:	-9.0(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[2-(dimethylamino)ethyl]-3-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C3=C(C4=CC=CC=C4O3)NC(=O)C5CC5)C

DOS

IR

Vibrations