Geometry & MOs

Info

ID:	393039
PubChem CID:	135019084
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	3.25
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[[4-(propylcarbamoyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-7-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=N[C@@H](CO1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations