Geometry & MOs

Info

ID:	149184
PubChem CID:	53788856
Reduced:	N2O2C27H42 (1)
Stoich.:	A2B2C27D42 (1)
Weight, g/mol:	299.98719
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	4.22
IP(EA), eV:	-8.62(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-4-(2H-triazol-4-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCCCCCC(CCCO)(CCCO)N)CC2=CC=CC=C2

DOS

IR

Vibrations