Geometry & MOs

Info

ID:	186078
PubChem CID:	77387233
Reduced:	N4O7C31H36 (1)
Stoich.:	A4B7C31D36 (1)
Weight, g/mol:	481.151682
ΔH_f, kcal/mol:	-150.3
Dipole, Da:	4.19
IP(EA), eV:	-8.86(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-aminophenoxy)anilino]-1-[(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O)N(C6=C4C=CC(=C6)CO)C

DOS

IR

Vibrations