Geometry & MOs

Info

ID:	128467
PubChem CID:	51045572
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-55.97
Dipole, Da:	4.41
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(1,3-benzodioxol-5-yl)-3-[3-(pyrrolidin-1-ylmethyl)anilino]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N/C=C/C(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations