Geometry & MOs

Info

ID:	179122
PubChem CID:	76437943
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	15.95
Dipole, Da:	2.4
IP(EA), eV:	-8.58(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopyrimidin-2-yl)-5-(cyclopropylmethyl)-6-oxo-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)N2CCN3C(=CC(=N3)CN4CCC(CC4)C5=CC=CC=C5)C2

DOS

IR

Vibrations