Geometry & MOs

Info

ID:	280817
PubChem CID:	103851442
Reduced:	OF2N2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	3.56
IP(EA), eV:	-9.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(C)C)NCC1=CC(=CC(=C1)F)F

DOS

IR

Vibrations