Geometry & MOs

Info

ID:	166789
PubChem CID:	74734011
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	457.200156
ΔH_f, kcal/mol:	22.25
Dipole, Da:	13.7
IP(EA), eV:	-6.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylanilino)-1-oxopropan-2-yl] 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=CC(=O)[NH+]4C=CC=CC4=N3

DOS

IR

Vibrations