Geometry & MOs

Info

ID:	435567
PubChem CID:	135191826
Reduced:	N3O13C59H61 (1)
Stoich.:	A3B13C59D61 (1)
Weight, g/mol:	266.22458
ΔH_f, kcal/mol:	-408.53
Dipole, Da:	8.21
IP(EA), eV:	-9.06(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxyethoxymethyl)-2,6-di(propan-2-yl)cyclohexa-1,3-diene

Drug info:

Smile

CCN(C1=CC2=C(C=C1C)C3(C4=C(C=C(C=C4)C(=O)ON5C(=O)CCC5=O)C(=O)O3)C6=C(O2)C=C(C(=C6)C)N(CC)C(=O)CC(C)(C)C7=C(C(=O)C(=C(C7=O)C)C)C)C(=O)CC(C)(C)C8=C(C(=O)C(=C(C8=O)C)C)C

DOS

IR

Vibrations