Geometry & MOs

Info

ID:	177575
PubChem CID:	76200488
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-186.94
Dipole, Da:	1.5
IP(EA), eV:	-9.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[3-(3-methylbutoxy)phenyl]pyrazolidin-3-yl]aniline

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC(=C1)C=C(C(=O)O)NC(=O)C

DOS

IR

Vibrations