Geometry & MOs

Info

ID:	249772
PubChem CID:	103091977
Reduced:	NF4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	-179.35
Dipole, Da:	6.17
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C=C1)F)C(F)(F)F)NC

DOS

IR

Vibrations