Geometry & MOs

Info

ID:	364744
PubChem CID:	127316050
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	28.12
Dipole, Da:	4.62
IP(EA), eV:	-8.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=CS2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations