Geometry & MOs

Info

ID:	443767
PubChem CID:	135259956
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	481.30529
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	6.43
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S,5R)-3,5-dimethyl-4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]-N-hydroxycyclohexa-2,4-diene-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC(=CC=C2)C=O)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations