Geometry & MOs

Info

ID:	266529
PubChem CID:	103569125
Reduced:	BrN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	235.154544
ΔH_f, kcal/mol:	55.84
Dipole, Da:	3.84
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2,5-dimethylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NCC2=CC(=C(C=C2)N)Br)C

DOS

IR

Vibrations