Geometry & MOs

Info

ID:	166025
PubChem CID:	74627466
Reduced:	N2O3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	369.217818
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	5.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794432
Charge, e:	1

Chem-info

IUPAC name:

N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-phenyl-2-pyrrolidin-1-ium-1-ylethanamine

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

DOS

IR

Vibrations