Geometry & MOs

Info

ID:	203109
PubChem CID:	79779384
Reduced:	BrN5C10H14 (1)
Stoich.:	AB5C10D14 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	76.07
Dipole, Da:	4.06
IP(EA), eV:	-8.44(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)CNC2=NN(C=C2)C)C

DOS

IR

Vibrations