Geometry & MOs

Info

ID:	298432
PubChem CID:	117649443
Reduced:	O10C31H38 (1)
Stoich.:	A10B31C38 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-438.21
Dipole, Da:	3.36
IP(EA), eV:	-8.65(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-ethyl-2,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations