Geometry & MOs

Info

ID:	358685
PubChem CID:	127296475
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	377.131031
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	5.8
IP(EA), eV:	-9.23(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NN(C(=C1)NC(=O)[C@H]2CCC(=O)N2)C

DOS

IR

Vibrations