Geometry & MOs

Info

ID:	83421
PubChem CID:	49857572
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	6.32
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7R)-2-(2-amino-3H-benzimidazol-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CO[C@@]3(C)CO)C(=N2)N4CCOCC4

DOS

IR

Vibrations