Geometry & MOs

Info

ID:	280835
PubChem CID:	103851540
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-63.7
Dipole, Da:	3.52
IP(EA), eV:	-8.96(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCCN(C2CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations