Geometry & MOs

Info

ID:	15144
PubChem CID:	430715
Reduced:	N10C21H24 (1)
Stoich.:	A10B21C24 (1)
Weight, g/mol:	416.218541
ΔH_f, kcal/mol:	195.93
Dipole, Da:	8.23
IP(EA), eV:	-9.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[5-(aminomethyl)-3-benzyltriazol-4-yl]methanimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=C(N=N2)CN)NC=NC3=C(N=NN3CC4=CC=CC=C4)CN

DOS

IR

Vibrations