Geometry & MOs

Info

ID:	152039
PubChem CID:	56310890
Reduced:	FON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	1.53
IP(EA), eV:	-8.91(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations