Geometry & MOs

Info

ID:	304433
PubChem CID:	124594299
Reduced:	BrN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	3.61
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)-[2-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COC2=C(C=C(C=C2)C(=O)N3CCC[C@@H](C3)N)Br

DOS

IR

Vibrations