Geometry & MOs

Info

ID:	152612
PubChem CID:	56311585
Reduced:	F2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-173.27
Dipole, Da:	3.77
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations