Geometry & MOs

Info

ID:	144212
PubChem CID:	53333068
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	450.216809
ΔH_f, kcal/mol:	16.39
Dipole, Da:	5.66
IP(EA), eV:	-8.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenyltriazolo[1,5-a]quinazoline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)N3CCN(CC3)C4CCCCC4)C

DOS

IR

Vibrations