Geometry & MOs

Info

ID:	184983
PubChem CID:	77236607
Reduced:	N3O6C28H41 (1)
Stoich.:	A3B6C28D41 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-265.68
Dipole, Da:	6.97
IP(EA), eV:	-9.08(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[(5-tert-butylpyrazolidin-3-yl)carbamoylamino]phenoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CCN2C3CCC2CC(C3)C4=CC(=CC=C4)C(=O)N)C(=O)C(COC(=O)CO)O

DOS

IR

Vibrations