Geometry & MOs

Info

ID:	120775
PubChem CID:	50744108
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	488.209137
ΔH_f, kcal/mol:	15.35
Dipole, Da:	0.89
IP(EA), eV:	-8.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-9-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3N=C2C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations