Geometry & MOs

Info

ID:	123224
PubChem CID:	50838226
Reduced:	ClO2N6H17C22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	111.68
Dipole, Da:	6.38
IP(EA), eV:	-9.48(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-6,8-dimethyl-1-oxo-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=C(OC(=N2)C3=CC=CC=C3)C)C4=NC(=NO4)C5=CC=CC=C5Cl

DOS

IR

Vibrations