Geometry & MOs

Info

ID:	37585
PubChem CID:	8022458
Reduced:	N2O6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	264.09553
ΔH_f, kcal/mol:	-216.95
Dipole, Da:	6.56
IP(EA), eV:	-10.08(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3S)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O

DOS

IR

Vibrations