Geometry & MOs

Info

ID:	369503
PubChem CID:	127334245
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	4.22
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations