Geometry & MOs

Info

ID:	189159
PubChem CID:	77823797
Reduced:	N3O7C37H43 (1)
Stoich.:	A3B7C37D43 (1)
Weight, g/mol:	526.330777
ΔH_f, kcal/mol:	-199.38
Dipole, Da:	2.59
IP(EA), eV:	-8.92(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(5-aminopent-1-ynyl)phenyl]-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=C(C=C1)C2=CC(=CC=C2)C3CCNCC3C(=O)N(C4CC4)C5=CC6=C(C=C5)OCC(=O)N6CCCOC

DOS

IR

Vibrations