Geometry & MOs

Info

ID:	244426
PubChem CID:	99350808
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-99.55
Dipole, Da:	2.48
IP(EA), eV:	-8.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCC(=O)NC[C@H]2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations