Geometry & MOs

Info

ID:	179096
PubChem CID:	76432846
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	531.284555
ΔH_f, kcal/mol:	-96.74
Dipole, Da:	3.91
IP(EA), eV:	-8.62(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2,3-dihydro-1H-inden-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-3-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCNC(=O)C1CC(CN(C1)CC2=CC=NC=C2)COC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations