Geometry & MOs

Info

ID:	209680
PubChem CID:	80702711
Reduced:	FNC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	312.96175
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	3.45
IP(EA), eV:	-9.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methoxyphenyl)-2-chloropyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC(F)F

DOS

IR

Vibrations