Geometry & MOs

Info

ID:	307821
PubChem CID:	125309560
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	6.71
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(dimethylaminomethylideneamino)-4-oxo-2H-pyrrolo[3,2-d]pyrimidin-3-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)[C@@H](CCCCCC2=C(C=C3CCCNC3=N2)CN)CC(=O)O

DOS

IR

Vibrations