Geometry & MOs

Info

ID:	217135
PubChem CID:	85087307
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	335.177982
ΔH_f, kcal/mol:	-197.06
Dipole, Da:	1.96
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)OC(=O)NCCOC1=CC=C(C=C1)CC2CCCCC2O

DOS

IR

Vibrations