Geometry & MOs

Info

ID:	194097
PubChem CID:	78482567
Reduced:	ClFN2O2C16H22 (1)
Stoich.:	ABC2D2E16F22 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	2.16
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[3-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]cyanamide

Drug info:

PubChemData

Smile

CC(C[NH2+]CC[NH2+]CC1=CC=C(O1)C2=CC(=C(C=C2)F)Cl)O

DOS

IR

Vibrations