Geometry & MOs

Info

ID:	159748
PubChem CID:	57288699
Reduced:	O2C27H46 (1)
Stoich.:	A2B27C46 (1)
Weight, g/mol:	203.08071
ΔH_f, kcal/mol:	-162.42
Dipole, Da:	3.96
IP(EA), eV:	-9.26(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-4-oxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)propanenitrile

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(C[C@H]([C@@H](C4)O)O)C)C

DOS

IR

Vibrations