Geometry & MOs

Info

ID:	342016
PubChem CID:	127264709
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-108.27
Dipole, Da:	4.11
IP(EA), eV:	-9.08(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1,3-benzodioxol-5-ylmethyl)-3-(hexa-2,4-dienoylamino)propanoate

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2C(C(CCC2=O)C(=O)O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations