Geometry & MOs

Info

ID:	352800
PubChem CID:	127283889
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	9.21
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations