Geometry & MOs

Info

ID:	205365
PubChem CID:	80092143
Reduced:	BrClON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	-6.39
Dipole, Da:	7.42
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,6-dimethylpyridin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)C(=O)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations