Geometry & MOs

Info

ID:	188121
PubChem CID:	77668991
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	480.23727
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	9.88
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C(=CC3=C(N(C(=C3)C)CCOC)C)C#N

DOS

IR

Vibrations