Geometry & MOs

Info

ID:	177760
PubChem CID:	76227123
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	467.090243
ΔH_f, kcal/mol:	-156.24
Dipole, Da:	6.01
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=NNC(=O)COC(=O)CN3C(=O)COC4=CC=CC=C43)C2)C)C

DOS

IR

Vibrations