Geometry & MOs

Info

ID:	202773
PubChem CID:	79723744
Reduced:	BrON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	206.096775
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	3.07
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoropyridin-2-yl)-(1-methylpyrazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=C(C=C(C=C2)Br)N)C

DOS

IR

Vibrations