Geometry & MOs

Info

ID:	313447
PubChem CID:	126614792
Reduced:	NC21H35 (1)
Stoich.:	AB21C35 (1)
Weight, g/mol:	492.234585
ΔH_f, kcal/mol:	-29.66
Dipole, Da:	1.1
IP(EA), eV:	-8.63(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrimidin-4-yl]-2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)CC(CCNCC(C)C)C=C(C)C

DOS

IR

Vibrations