Geometry & MOs

Info

ID:	311196
PubChem CID:	126589861
Reduced:	BrN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	354.174356
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	2.22
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(anilinooxymethyl)-3-[1-[(3-fluorophenyl)methylamino]prop-2-enyl]cyclopropane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CC[C@H]3CCCC[C@H]3C2)[C@@H](C(=O)OC(C)C)O

DOS

IR

Vibrations