Geometry & MOs

Info

ID:	353262
PubChem CID:	127284442
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	11.12
Dipole, Da:	5.21
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations