Geometry & MOs

Info

ID:	446355
PubChem CID:	135274339
Reduced:	BrN2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	266.073452
ΔH_f, kcal/mol:	12.19
Dipole, Da:	4.03
IP(EA), eV:	-9.17(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C(C=NN1C)Br

DOS

IR

Vibrations