Geometry & MOs

Info

ID:	195401
PubChem CID:	78681955
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	419.113565
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	7.46
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations