Geometry & MOs

Info

ID:	122380
PubChem CID:	50804012
Reduced:	O4N5C25H41 (1)
Stoich.:	A4B5C25D41 (1)
Weight, g/mol:	488.336256
ΔH_f, kcal/mol:	-197.92
Dipole, Da:	6.69
IP(EA), eV:	-8.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCC(CC2)C(=O)NCCN3CCN(CC3)C)C

DOS

IR

Vibrations