Geometry & MOs

Info

ID:	201468
PubChem CID:	79541571
Reduced:	BrN2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	208.168797
ΔH_f, kcal/mol:	-157.75
Dipole, Da:	6.2
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(CC1CCCN1)NC2=C(C=C(C=C2)Br)C(F)(F)F

DOS

IR

Vibrations