Geometry & MOs

Info

ID:	392897
PubChem CID:	135018339
Reduced:	PN3O7C9H12 (1)
Stoich.:	AB3C7D9E12 (1)
Weight, g/mol:	396.20893
ΔH_f, kcal/mol:	-296.79
Dipole, Da:	8.94
IP(EA), eV:	-9.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-10-[1-(4-methoxyphenyl)but-3-enoxymethyl]phenanthrene

Drug info:

PubChemData

Smile

C1[C@@H]2C3C([C@@H](O2)N4C(O1)CC(=NC4=O)N)OP(=O)(O3)O

DOS

IR

Vibrations