Geometry & MOs

Info

ID:	187356
PubChem CID:	77562633
Reduced:	SN5O5C37H47 (1)
Stoich.:	AB5C5D37E47 (1)
Weight, g/mol:	315.093166
ΔH_f, kcal/mol:	2.1
Dipole, Da:	7.17
IP(EA), eV:	-8.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-6-(2,6-difluorophenyl)-4-oxo-4aH-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Drug info:

PubChemData

Smile

CN1CCC2CCC(C1)N2C(=O)C3CC=CC4=C5C(=C5C(=O)NS(=O)(=O)N(C)C)CN6C(=CC7=C(C=CC(=C76)C8CCCCC8)OC)C34

DOS

IR

Vibrations