Geometry & MOs

Info

ID:	169946
PubChem CID:	75171047
Reduced:	O5N6H22C24 (1)
Stoich.:	A5B6C22D24 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	7.74
IP(EA), eV:	-8.96(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-phenyl-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=NC3=NC4C(C(C3=C5C2C(=NC(=O)N5)C1)C6=CC7=C(C=C6)OCO7)C(=O)NC(=O)N4)C

DOS

IR

Vibrations