Geometry & MOs

Info

ID:	185057
PubChem CID:	77249502
Reduced:	N5O9C35H43 (1)
Stoich.:	A5B9C35D43 (1)
Weight, g/mol:	517.330442
ΔH_f, kcal/mol:	-346.91
Dipole, Da:	9.51
IP(EA), eV:	-9.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylmethyl)-6-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-1-propan-2-ylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=C(C=CC(=C1)NC(=O)C(C2C(=O)N(CCO2)C3=CC=CC=C3N4CCCCC4=O)O)C#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations