Geometry & MOs

Info

ID:	317926
PubChem CID:	126647777
Reduced:	N2O7H44C76 (1)
Stoich.:	A2B7C44D76 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	129.15
Dipole, Da:	3.02
IP(EA), eV:	-8.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-methoxyprop-2-enoxy]methylbenzene

Drug info:

Smile

C1=CC=C2C(=C1)C(=CC=C2N(C3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=CC7=C(C=C6)OC8=CC=CC=C8O7)C9=CC=CC(=C9)C1=CC2=C(C=C1)C1=C(O2)C=C(C=C1)N(C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC2=C(C=C1)OC1=CC=CC=C1O2

DOS

IR

Vibrations