Geometry & MOs

Info

ID:	169740
PubChem CID:	75143172
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	2.25
IP(EA), eV:	-9.39(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C(NN(C1=O)C2=CC=CC(=C2)C)C(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations