Geometry & MOs

Info

ID:	349438
PubChem CID:	127275225
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	4.46
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(dicyclopropylmethyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CN2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations