Geometry & MOs

Info

ID:	177973
PubChem CID:	76259083
Reduced:	ClN3O6H20C24 (1)
Stoich.:	AB3C6D20E24 (1)
Weight, g/mol:	406.175339
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	10.22
IP(EA), eV:	-9.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3

DOS

IR

Vibrations