Geometry & MOs

Info

ID:	186080
PubChem CID:	77388441
Reduced:	ClN4O5C23H23 (1)
Stoich.:	AB4C5D23E23 (1)
Weight, g/mol:	467.147265
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	3.31
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-aminopyrimidin-4-yl)oxyanilino]-1-[(4-chlorophenyl)methyl]-3-ethyl-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CCN1C(=O)NC(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC4=C(C=C3)OC(=C4CC(=O)O)C

DOS

IR

Vibrations