Geometry & MOs

Info

ID:	121633
PubChem CID:	50775354
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	490.232853
ΔH_f, kcal/mol:	-72.29
Dipole, Da:	5.0
IP(EA), eV:	-9.25(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1,5-dioxo-N-propan-2-yl-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)C)C

DOS

IR

Vibrations