Geometry & MOs

Info

ID:	123186
PubChem CID:	50836669
Reduced:	O4N6C23H30 (1)
Stoich.:	A4B6C23D30 (1)
Weight, g/mol:	482.146931
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	5.76
IP(EA), eV:	-9.4(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-chloroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=O)CC(=O)NC4CCCC4

DOS

IR

Vibrations