Geometry & MOs

Info

ID:	149555
PubChem CID:	53789228
Reduced:	ClSO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	-211.71
Dipole, Da:	10.11
IP(EA), eV:	-9.49(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-5,6,7,8,8a,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazolin-5-amine

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=C(C=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)Cl)OC(=O)C

DOS

IR

Vibrations