Geometry & MOs

Info

ID:	56838
PubChem CID:	22394337
Reduced:	ClNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	517.133924
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	0.81
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C3=C(C=C(C=C3)Cl)C=C2C(=O)O

DOS

IR

Vibrations