Geometry & MOs

Info

ID:	79612
PubChem CID:	49829716
Reduced:	N3O4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-103.79
Dipole, Da:	6.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872310
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetyl]amino]-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations