Geometry & MOs

Info

ID:	140249
PubChem CID:	52669832
Reduced:	O2N7C25H33 (1)
Stoich.:	A2B7C25D33 (1)
Weight, g/mol:	430.294391
ΔH_f, kcal/mol:	14.76
Dipole, Da:	5.29
IP(EA), eV:	-8.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)CN2CCN(CC2)CC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C

DOS

IR

Vibrations