Geometry & MOs

Info

ID:	398678
PubChem CID:	135034771
Reduced:	O11C23H26 (1)
Stoich.:	A11B23C26 (1)
Weight, g/mol:	420.277678
ΔH_f, kcal/mol:	-421.96
Dipole, Da:	4.85
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCO[C@H]2C(C([C@@H](C(O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O

DOS

IR

Vibrations