Geometry & MOs

Info

ID:	286188
PubChem CID:	104158895
Reduced:	FN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	34.94
Dipole, Da:	3.66
IP(EA), eV:	-9.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-propan-2-yloxybutan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)NCC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations