Geometry & MOs

Info

ID:	244427
PubChem CID:	99350809
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	5.35
IP(EA), eV:	-7.88(-0.56)
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-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)/C=C/C3=CC4=C(C(=C3)OC)OCCO4

DOS

IR

Vibrations