Geometry & MOs

Info

ID:	82443
PubChem CID:	49856037
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	2.73
IP(EA), eV:	-8.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC(=NC3=C2CO[C@@]3(C)CCOC)C4=CC5=C(C=C4)N=C(O5)N

DOS

IR

Vibrations