Geometry & MOs

Info

ID:	83422
PubChem CID:	49857573
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	2.29
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(7S)-7-(2-methoxyethyl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]-1,2-benzoxazol-3-amine

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC(=NC3=C2CO[C@]3(C)CCO)C4=CC5=C(C=C4)N=C(N5)N

DOS

IR

Vibrations