Geometry & MOs

Info

ID:	376919
PubChem CID:	134222952
Reduced:	N2O31C46H82 (1)
Stoich.:	A2B31C46D82 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-1438.45
Dipole, Da:	10.62
IP(EA), eV:	-9.37(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-amine

Drug info:

Smile

CC1C(CC(OC1C([C@@H](CO)O)O)O[C@H]2[C@H](C(OC(C2O)O[C@H]3[C@H](C(OC(C3NC(=O)C)O[C@H]4[C@H](C(OC(C4O)O[C@@H]5[C@@H](C(C(OC5CO)O[C@H]6[C@@H](C(C(OC6CO)OCCCCCN)O)O)O)O)CO)O)CO)O)CO)O)O

DOS

IR

Vibrations