Geometry & MOs

Info

ID:	165186
PubChem CID:	74513875
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	5.4
IP(EA), eV:	-8.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations