Geometry & MOs

Info

ID:	211101
PubChem CID:	80897042
Reduced:	BrN5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	277.109423
ΔH_f, kcal/mol:	66.74
Dipole, Da:	4.63
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-2-hydrazinyl-5-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NN)NC(C)C2=CC=C(C=C2)Br

DOS

IR

Vibrations