Geometry & MOs

Info

ID:	43867
PubChem CID:	10321903
Reduced:	N2C22H39 (1)
Stoich.:	A2B22C39 (1)
Weight, g/mol:	458.168916
ΔH_f, kcal/mol:	-29.28
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929636
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]anilino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1=CC=CC(=C1)[C@@H]2CCCN2C

DOS

IR

Vibrations