Geometry & MOs

Info

ID:	280762
PubChem CID:	103851151
Reduced:	N2O6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	7.44
IP(EA), eV:	-9.95(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutan-1-amine

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations