Geometry & MOs

Info

ID:	400197
PubChem CID:	135046454
Reduced:	O7C21H26 (1)
Stoich.:	A7B21C26 (1)
Weight, g/mol:	392.111521
ΔH_f, kcal/mol:	-285.91
Dipole, Da:	2.54
IP(EA), eV:	-9.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)/C=C/C4=CC=CC=C4)C

DOS

IR

Vibrations