Geometry & MOs

Info

ID:	122379
PubChem CID:	50804011
Reduced:	N4O5C25H38 (1)
Stoich.:	A4B5C25D38 (1)
Weight, g/mol:	475.315855
ΔH_f, kcal/mol:	-250.67
Dipole, Da:	8.83
IP(EA), eV:	-8.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[3-[4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]piperidin-1-yl]-3-oxopropyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCC(CC2)C(=O)NCCCN3CCCC3=O)C

DOS

IR

Vibrations