Geometry & MOs

Info

ID:	169626
PubChem CID:	75127712
Reduced:	ClNOC9H11 (2)
Stoich.:	ABCD9E11 (2)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	6.39
IP(EA), eV:	-9.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CCCNC(=O)C=CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations