Geometry & MOs

Info

ID:	371907
PubChem CID:	131278985
Reduced:	BrNF2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	203.001703
ΔH_f, kcal/mol:	-89.15
Dipole, Da:	3.56
IP(EA), eV:	-9.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4,6-dichloropyrimidin-5-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(C(F)F)NC

DOS

IR

Vibrations