Geometry & MOs

Info

ID:	46064
PubChem CID:	10520996
Reduced:	O3C22H26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	338.220557
ΔH_f, kcal/mol:	-110.12
Dipole, Da:	4.07
IP(EA), eV:	-8.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-amino-3-[(1S,2R,5S,6S,7S,9S,10R)-5,10,13,13-tetramethyl-4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecan-6-yl]propanoate

Drug info:

PubChemData

Smile

CCCC(CCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)CC(=O)OC

DOS

IR

Vibrations